Models established using MACCS fingerprints
Details Uniprot_ID Protein F1_CV AUC_CV Accuracy_CV Sensitivity_CV Specificity_CV F1_test AUC_test Accuracy_test Sensitivity_test Specificity_test
View O00519 Fatty-acid amide hydrolase 1 0.759 0.822 0.757 0.767 0.746 0.788 0.856 0.792 0.807 0.778
View O14672 Disintegrin and metalloproteinase domain-containing protein 10 0.705 0.816 0.810 0.670 0.882 0.739 0.865 0.808 0.745 0.844
View O95263 High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8B 0.926 0.975 0.924 0.944 0.904 0.884 0.985 0.921 0.950 0.907
View P00488 Coagulation factor XIII A chain 0.905 0.905 0.900 0.950 0.850 0.947 0.976 0.950 1.000 0.909
View P00491 Purine nucleoside phosphorylase 0.936 0.955 0.931 0.991 0.871 0.932 0.980 0.927 0.982 0.870
View P00519 Tyrosine-protein kinase ABL1 0.764 0.830 0.752 0.800 0.703 0.783 0.853 0.783 0.833 0.738
View P00747 Plasminogen 0.647 0.720 0.680 0.591 0.767 0.664 0.774 0.703 0.608 0.791
View P00749 Urokinase-type plasminogen activator 0.713 0.802 0.730 0.711 0.747 0.712 0.825 0.751 0.712 0.780
View P00750 Tissue-type plasminogen activator 0.533 0.611 0.601 0.515 0.669 0.690 0.775 0.701 0.722 0.683
View P00797 Renin 0.862 0.919 0.860 0.869 0.851 0.856 0.925 0.855 0.859 0.851
View P01275 Glucagon 0.966 0.981 0.967 0.933 1.000 0.977 1.000 0.981 0.955 1.000
View P01375 Tumor necrosis factor 0.554 0.656 0.625 0.467 0.783 0.612 0.726 0.652 0.531 0.781
View P02766 Transthyretin 0.746 0.771 0.730 0.786 0.673 0.848 0.859 0.821 0.933 0.692
View P03372 Estrogen receptor 0.819 0.881 0.822 0.812 0.832 0.836 0.899 0.837 0.840 0.834
View P03956 Interstitial collagenase 0.817 0.878 0.813 0.832 0.793 0.819 0.894 0.817 0.843 0.792
View P04035 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.890 0.957 0.887 0.931 0.845 0.936 0.986 0.921 0.927 0.912
View P04049 RAF proto-oncogene serine/threonine-protein kinase 0.836 0.920 0.837 0.827 0.847 0.850 0.930 0.859 0.850 0.867
View P04062 Glucosylceramidase 0.610 0.658 0.633 0.725 0.573 0.709 0.730 0.698 0.830 0.593
View P04156 Major prion protein 0.775 0.829 0.778 0.766 0.789 0.760 0.835 0.776 0.704 0.849
View P04439 HLA class I histocompatibility antigen, A-3 alpha chain 0.987 0.997 0.987 1.000 0.973 1.000 1.000 1.000 1.000 1.000
View P04626 Receptor tyrosine-protein kinase erbB-2 0.790 0.868 0.783 0.811 0.755 0.797 0.868 0.792 0.811 0.774
View P04629 High affinity nerve growth factor receptor 0.867 0.941 0.867 0.859 0.876 0.853 0.932 0.855 0.840 0.870
View P04798 Cytochrome P450 1A1 0.808 0.884 0.815 0.776 0.853 0.667 0.811 0.711 0.688 0.727
View P05067 Amyloid beta A4 protein 0.753 0.759 0.749 0.761 0.737 0.777 0.821 0.765 0.783 0.746
View P05091 Aldehyde dehydrogenase, mitochondrial 0.910 0.935 0.913 0.880 0.945 0.963 0.992 0.957 0.929 1.000
View P05093 Steroid 17-alpha-hydroxylase/17,20 lyase 0.853 0.906 0.851 0.863 0.839 0.816 0.891 0.816 0.832 0.801
View P05121 Plasminogen activator inhibitor 1 0.754 0.728 0.737 0.804 0.671 0.786 0.838 0.786 0.825 0.750
View P05164 Myeloperoxidase 0.700 0.811 0.725 0.636 0.816 0.722 0.860 0.744 0.765 0.727
View P05230 Fibroblast growth factor 1 0.730 0.856 0.748 0.689 0.806 0.813 0.867 0.806 0.813 0.800
View P05362 Intercellular adhesion molecule 1 0.745 0.780 0.763 0.693 0.833 0.760 0.852 0.761 0.701 0.831
View P06213 Insulin receptor 0.782 0.841 0.767 0.834 0.699 0.809 0.875 0.797 0.879 0.718
View P06239 Tyrosine-protein kinase Lck 0.784 0.836 0.765 0.849 0.682 0.791 0.868 0.779 0.857 0.705
View P06241 Tyrosine-protein kinase Fyn 0.605 0.721 0.663 0.516 0.811 0.634 0.783 0.688 0.520 0.870
View P06276 Cholinesterase 0.732 0.781 0.712 0.784 0.641 0.759 0.828 0.746 0.816 0.680
View P06493 Cyclin-dependent kinase 1 0.664 0.775 0.681 0.625 0.738 0.683 0.785 0.700 0.649 0.751
View P07339 Cathepsin D 0.795 0.844 0.796 0.785 0.808 0.772 0.842 0.786 0.768 0.802
View P07384 Calpain-1 catalytic subunit 0.874 0.913 0.870 0.898 0.841 0.888 0.924 0.883 0.932 0.835
View P07550 Beta-2 adrenergic receptor 0.753 0.890 0.774 0.689 0.858 0.740 0.886 0.765 0.683 0.844
View P07858 Cathepsin B 0.735 0.783 0.726 0.764 0.689 0.761 0.803 0.751 0.805 0.700
View P08069 Insulin-like growth factor 1 receptor 0.767 0.832 0.757 0.799 0.714 0.797 0.843 0.784 0.803 0.762
View P08172 Muscarinic acetylcholine receptor M2 0.781 0.828 0.761 0.864 0.660 0.796 0.831 0.769 0.869 0.660
View P08183 Multidrug resistance protein 1 0.708 0.745 0.684 0.764 0.604 0.726 0.776 0.704 0.794 0.616
View P08253 72 kDa type IV collagenase 0.794 0.873 0.796 0.789 0.803 0.797 0.869 0.794 0.785 0.803
View P08254 Stromelysin-1 0.862 0.917 0.859 0.876 0.843 0.874 0.929 0.866 0.897 0.832
View P08311 Cathepsin G 0.622 0.600 0.593 0.667 0.519 0.612 0.655 0.593 0.634 0.550
View P08473 Neprilysin 0.918 0.944 0.913 0.940 0.882 0.950 0.986 0.941 0.963 0.910
View P08908 5-hydroxytryptamine receptor 1A 0.763 0.824 0.750 0.803 0.697 0.780 0.844 0.767 0.824 0.708
View P08913 Alpha-2A adrenergic receptor 0.720 0.789 0.711 0.751 0.671 0.739 0.826 0.727 0.771 0.682
View P09874 Poly [ADP-ribose] polymerase 1 0.851 0.917 0.843 0.896 0.789 0.867 0.930 0.859 0.897 0.820
View P09917 Arachidonate 5-lipoxygenase 0.745 0.788 0.744 0.747 0.740 0.741 0.798 0.747 0.728 0.766
View P10275 Androgen receptor 0.816 0.863 0.811 0.834 0.788 0.813 0.866 0.806 0.834 0.778
View P10635 Cytochrome P450 2D6 0.693 0.765 0.725 0.713 0.733 0.720 0.801 0.749 0.726 0.767
View P11086 Phenylethanolamine N-methyltransferase 0.789 0.812 0.774 0.847 0.701 0.778 0.837 0.768 0.824 0.714
View P11229 Muscarinic acetylcholine receptor M1 0.782 0.834 0.762 0.864 0.662 0.794 0.839 0.763 0.877 0.638
View P11274 Breakpoint cluster region protein 0.874 0.930 0.865 0.936 0.793 0.859 0.925 0.838 0.935 0.727
View P11473 Vitamin D3 receptor 0.821 0.900 0.840 0.805 0.870 0.882 0.920 0.901 0.833 0.955
View P11511 Aromatase 0.761 0.810 0.751 0.788 0.713 0.763 0.851 0.762 0.763 0.762
View P12821 Angiotensin-converting enzyme 0.895 0.901 0.886 0.967 0.805 0.908 0.923 0.906 0.975 0.844
View P13569 Cystic fibrosis transmembrane conductance regulator 0.852 0.917 0.860 0.802 0.919 0.791 0.874 0.839 0.773 0.882
View P14174 Macrophage migration inhibitory factor 0.633 0.709 0.633 0.633 0.633 0.680 0.828 0.733 0.739 0.730
View P14324 Farnesyl pyrophosphate synthase 0.941 0.944 0.939 0.959 0.918 0.982 0.982 0.981 0.965 1.000
View P14555 Phospholipase A2, membrane associated 0.781 0.857 0.780 0.782 0.779 0.849 0.905 0.833 0.890 0.770
View P14780 Matrix metalloproteinase-9 0.792 0.887 0.798 0.766 0.831 0.800 0.904 0.803 0.764 0.845
View P15559 NAD(P)H dehydrogenase [quinone] 1 0.795 0.833 0.809 0.734 0.885 0.882 0.931 0.900 0.789 1.000
View P16050 Arachidonate 15-lipoxygenase 0.471 0.590 0.533 0.424 0.638 0.610 0.706 0.662 0.563 0.750
View P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] 0.759 0.842 0.764 0.750 0.778 0.698 0.848 0.683 0.833 0.565
View P16109 P-selectin 0.591 0.730 0.656 0.653 0.658 0.387 0.722 0.604 0.400 0.697
View P17612 cAMP-dependent protein kinase catalytic subunit alpha 0.585 0.730 0.710 0.528 0.825 0.563 0.802 0.702 0.429 0.923
View P17787 Neuronal acetylcholine receptor subunit beta-2 0.780 0.841 0.773 0.803 0.742 0.801 0.854 0.794 0.829 0.760
View P18054 Arachidonate 12-lipoxygenase, 12S-type 0.530 0.653 0.612 0.482 0.720 0.533 0.760 0.656 0.571 0.700
View P19438 Tumor necrosis factor receptor superfamily member 1A 0.807 0.872 0.806 0.816 0.795 0.844 0.895 0.841 0.792 0.900
View P19525 Interferon-induced, double-stranded RNA-activated protein kinase 0.519 0.516 0.508 0.531 0.484 0.588 0.448 0.563 0.556 0.571
View P21397 Amine oxidase [flavin-containing] A 0.697 0.724 0.668 0.768 0.570 0.693 0.758 0.664 0.797 0.544
View P21728 D(1A) dopamine receptor 0.698 0.773 0.692 0.710 0.674 0.728 0.806 0.731 0.743 0.720
View P21730 C5a anaphylatoxin chemotactic receptor 1 0.729 0.851 0.746 0.679 0.814 0.721 0.861 0.744 0.657 0.833
View P21917 D(4) dopamine receptor 0.832 0.893 0.818 0.898 0.738 0.826 0.887 0.812 0.886 0.736
View P22102 Trifunctional purine biosynthetic protein adenosine-3 0.849 0.897 0.825 0.984 0.667 0.857 0.927 0.813 1.000 0.571
View P22303 Acetylcholinesterase 0.723 0.775 0.703 0.778 0.627 0.754 0.808 0.739 0.813 0.669
View P23219 Prostaglandin G/H synthase 1 0.429 0.601 0.599 0.437 0.684 0.505 0.651 0.644 0.544 0.694
View P23443 Ribosomal protein S6 kinase beta-1 0.894 0.956 0.896 0.876 0.916 0.898 0.965 0.896 0.875 0.919
View P24385 G1/S-specific cyclin-D1 0.774 0.828 0.750 0.844 0.654 0.795 0.868 0.782 0.852 0.714
View P25025 C-X-C chemokine receptor type 2 0.824 0.909 0.831 0.785 0.877 0.833 0.921 0.838 0.819 0.857
View P25098 Beta-adrenergic receptor kinase 1 0.614 0.631 0.639 0.574 0.705 0.621 0.650 0.645 0.563 0.733
View P27338 Amine oxidase [flavin-containing] B 0.689 0.774 0.691 0.697 0.686 0.729 0.802 0.727 0.771 0.688
View P27695 DNA-(apurinic or apyrimidinic site) lyase 0.563 0.809 0.685 0.679 0.688 0.579 0.765 0.644 0.688 0.621
View P27986 Phosphatidylinositol 3-kinase regulatory subunit alpha 0.862 0.915 0.860 0.870 0.851 0.887 0.940 0.878 0.887 0.868
View P28223 5-hydroxytryptamine receptor 2A 0.761 0.824 0.749 0.796 0.702 0.771 0.836 0.758 0.818 0.698
View P28335 5-hydroxytryptamine receptor 2C 0.765 0.826 0.751 0.805 0.697 0.781 0.844 0.769 0.826 0.712
View P28482 Mitogen-activated protein kinase 1 0.847 0.916 0.848 0.839 0.857 0.866 0.923 0.865 0.839 0.894
View P28845 Corticosteroid 11-beta-dehydrogenase isozyme 1 0.775 0.855 0.775 0.772 0.778 0.789 0.872 0.791 0.793 0.790
View P29274 Adenosine receptor A2a 0.836 0.904 0.827 0.879 0.774 0.846 0.909 0.835 0.887 0.782
View P29466 Caspase-1 0.856 0.895 0.856 0.876 0.836 0.875 0.933 0.876 0.904 0.851
View P29474 Nitric oxide synthase, endothelial 0.549 0.620 0.639 0.604 0.660 0.611 0.693 0.658 0.638 0.673
View P29475 Nitric oxide synthase, brain 0.741 0.831 0.740 0.735 0.746 0.776 0.850 0.768 0.776 0.760
View P30291 Wee1-like protein kinase 0.864 0.922 0.862 0.875 0.849 0.828 0.916 0.838 0.815 0.859
View P30556 Type-1 angiotensin II receptor 0.795 0.863 0.797 0.784 0.811 0.746 0.824 0.761 0.730 0.789
View P30926 Neuronal acetylcholine receptor subunit beta-4 0.734 0.745 0.702 0.825 0.579 0.813 0.885 0.793 0.813 0.769
View P31645 Sodium-dependent serotonin transporter 0.816 0.863 0.802 0.875 0.729 0.830 0.875 0.811 0.889 0.727
View P31749 RAC-alpha serine/threonine-protein kinase 0.810 0.874 0.800 0.858 0.743 0.801 0.869 0.793 0.841 0.746
View P32297 Neuronal acetylcholine receptor subunit alpha-3 0.707 0.770 0.721 0.672 0.770 0.681 0.792 0.754 0.640 0.833
View P34972 Cannabinoid receptor 2 0.744 0.824 0.742 0.743 0.741 0.758 0.836 0.756 0.752 0.761
View P34998 Corticotropin-releasing factor receptor 1 0.871 0.939 0.868 0.887 0.850 0.879 0.950 0.873 0.897 0.848
View P35228 Nitric oxide synthase, inducible 0.720 0.742 0.698 0.771 0.623 0.740 0.769 0.722 0.780 0.662
View P35354 Prostaglandin G/H synthase 2 0.711 0.781 0.723 0.679 0.767 0.714 0.782 0.722 0.692 0.751
View P35462 D(3) dopamine receptor 0.812 0.865 0.797 0.879 0.714 0.814 0.876 0.790 0.884 0.689
View P35610 Sterol O-acyltransferase 1 0.740 0.789 0.735 0.728 0.742 0.825 0.813 0.806 0.783 0.837
View P35869 Aryl hydrocarbon receptor 0.771 0.809 0.764 0.789 0.738 0.759 0.783 0.747 0.767 0.725
View P36544 Neuronal acetylcholine receptor subunit alpha-7 0.754 0.801 0.730 0.820 0.640 0.741 0.803 0.705 0.825 0.580
View P37231 Peroxisome proliferator-activated receptor gamma 0.823 0.872 0.821 0.831 0.810 0.803 0.859 0.800 0.822 0.779
View P39900 Macrophage metalloelastase 0.833 0.905 0.834 0.828 0.839 0.848 0.926 0.845 0.818 0.875
View P41231 P2Y purinoceptor 2 0.901 0.897 0.898 0.926 0.870 0.926 0.919 0.917 0.903 0.936
View P42261 Glutamate receptor 1 0.898 0.930 0.897 0.914 0.879 0.867 0.879 0.862 0.929 0.800
View P42262 Glutamate receptor 2 0.653 0.790 0.695 0.561 0.835 0.684 0.873 0.786 0.591 0.912
View P42345 Serine/threonine-protein kinase mTOR 0.766 0.850 0.766 0.762 0.769 0.773 0.868 0.769 0.797 0.741
View P42574 Caspase-3 0.752 0.803 0.763 0.731 0.795 0.746 0.807 0.767 0.719 0.811
View P43681 Neuronal acetylcholine receptor subunit alpha-4 0.791 0.853 0.782 0.820 0.744 0.788 0.859 0.783 0.844 0.726
View P48039 Melatonin receptor type 1A 0.922 0.965 0.923 0.911 0.935 0.907 0.961 0.909 0.894 0.924
View P48147 Prolyl endopeptidase 0.826 0.875 0.815 0.882 0.747 0.841 0.896 0.832 0.879 0.785
View P49682 C-X-C chemokine receptor type 3 0.849 0.917 0.841 0.886 0.795 0.867 0.933 0.862 0.889 0.833
View P49768 Presenilin-1 0.827 0.832 0.801 0.937 0.662 0.857 0.957 0.846 0.947 0.750
View P49810 Presenilin-2 0.775 0.878 0.786 0.728 0.845 0.891 0.931 0.890 0.869 0.912
View P49840 Glycogen synthase kinase-3 alpha 0.811 0.903 0.814 0.791 0.837 0.813 0.913 0.820 0.800 0.838
View P49841 Glycogen synthase kinase-3 beta 0.743 0.801 0.736 0.753 0.718 0.777 0.829 0.769 0.803 0.735
View P49862 Kallikrein-7 0.182 0.416 0.633 0.196 0.748 0.240 0.602 0.721 0.300 0.793
View P50052 Type-2 angiotensin II receptor 0.827 0.906 0.837 0.779 0.894 0.825 0.896 0.840 0.786 0.890
View P50406 5-hydroxytryptamine receptor 6 0.766 0.825 0.754 0.804 0.703 0.780 0.843 0.768 0.819 0.717
View P51677 C-C chemokine receptor type 3 0.826 0.903 0.823 0.847 0.798 0.846 0.931 0.846 0.866 0.827
View P51681 C-C chemokine receptor type 5 0.861 0.945 0.847 0.947 0.747 0.877 0.949 0.860 0.949 0.761
View P52732 Kinesin-like protein KIF11 0.671 0.753 0.675 0.658 0.693 0.739 0.799 0.728 0.781 0.676
View P55055 Oxysterols receptor LXR-beta 0.918 0.911 0.916 0.918 0.914 0.968 0.973 0.972 1.000 0.952
View P55210 Caspase-7 0.772 0.873 0.788 0.753 0.820 0.852 0.882 0.845 0.872 0.817
View P55211 Caspase-9 0.568 0.623 0.605 0.585 0.622 0.531 0.570 0.547 0.545 0.548
View P55212 Caspase-6 0.592 0.625 0.624 0.646 0.607 0.682 0.802 0.714 0.789 0.667
View P56817 Beta-secretase 1 0.810 0.886 0.824 0.752 0.895 0.852 0.925 0.862 0.783 0.943
View P78536 Disintegrin and metalloproteinase domain-containing protein 17 0.848 0.941 0.854 0.817 0.891 0.843 0.941 0.849 0.818 0.880
View Q00535 Cyclin-dependent-like kinase 5 0.768 0.849 0.767 0.766 0.767 0.802 0.870 0.798 0.836 0.762
View Q01959 Sodium-dependent dopamine transporter 0.801 0.846 0.790 0.839 0.740 0.804 0.849 0.794 0.838 0.749
View Q02750 Dual specificity mitogen-activated protein kinase kinase 1 0.827 0.920 0.835 0.783 0.888 0.873 0.953 0.877 0.884 0.871
View Q03181 Peroxisome proliferator-activated receptor delta 0.830 0.897 0.829 0.840 0.817 0.827 0.896 0.833 0.839 0.828
View Q05586 Glutamate receptor ionotropic, NMDA 1 0.602 0.719 0.644 0.542 0.745 0.852 0.877 0.823 0.860 0.769
View Q07343 cAMP-specific 3',5'-cyclic phosphodiesterase 4B 0.714 0.773 0.705 0.727 0.682 0.779 0.845 0.771 0.825 0.720
View Q07869 Peroxisome proliferator-activated receptor alpha 0.861 0.897 0.854 0.901 0.808 0.881 0.908 0.873 0.913 0.829
View Q13224 Glutamate receptor ionotropic, NMDA 2B 0.756 0.815 0.755 0.756 0.755 0.838 0.912 0.822 0.803 0.848
View Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 0.500 0.449 0.491 0.558 0.435 0.634 0.717 0.651 0.684 0.625
View Q13627 Dual specificity tyrosine-phosphorylation-regulated kinase 1A 0.798 0.830 0.793 0.807 0.778 0.835 0.859 0.826 0.869 0.783
View Q13936 Voltage-dependent L-type calcium channel subunit alpha-1C 0.730 0.836 0.726 0.754 0.698 0.800 0.842 0.806 0.800 0.813
View Q14289 Protein-tyrosine kinase 2-beta 0.828 0.911 0.824 0.845 0.802 0.818 0.908 0.837 0.900 0.793
View Q14790 Caspase-8 0.897 0.914 0.886 0.916 0.851 0.928 0.897 0.906 0.955 0.821
View Q15078 Cyclin-dependent kinase 5 activator 1 0.779 0.862 0.776 0.786 0.767 0.812 0.890 0.819 0.803 0.835
View Q15303 Receptor tyrosine-protein kinase erbB-4 0.838 0.911 0.840 0.817 0.863 0.842 0.947 0.854 0.941 0.792
View Q16572 Vesicular acetylcholine transporter 0.939 0.963 0.936 0.979 0.893 0.966 0.976 0.958 1.000 0.897
View Q16620 BDNF/NT-3 growth factors receptor 0.776 0.847 0.759 0.833 0.685 0.857 0.909 0.815 0.938 0.636
View Q16739 Ceramide glucosyltransferase 0.919 0.970 0.917 0.927 0.906 0.968 1.000 0.963 0.938 1.000
View Q5S007 Leucine-rich repeat serine/threonine-protein kinase 2 0.819 0.923 0.821 0.803 0.839 0.840 0.946 0.844 0.807 0.883
View Q8WW43 Gamma-secretase subunit APH-1B 0.814 0.869 0.810 0.832 0.787 0.817 0.881 0.810 0.803 0.818
View Q92731 Estrogen receptor beta 0.781 0.845 0.789 0.755 0.822 0.804 0.869 0.801 0.770 0.837
View Q96EB6 NAD-dependent protein deacetylase sirtuin-1 0.563 0.737 0.688 0.606 0.729 0.625 0.799 0.700 0.625 0.750
View Q99720 Sigma non-opioid intracellular receptor 1 0.797 0.885 0.792 0.816 0.769 0.812 0.895 0.802 0.842 0.761
View Q9NR96 Toll-like receptor 9 0.640 0.687 0.636 0.640 0.633 0.703 0.753 0.686 0.711 0.659
View Q9NZ42 Gamma-secretase subunit PEN-2 0.815 0.883 0.787 0.930 0.643 0.757 0.871 0.750 0.933 0.619
View Q9Y5Z0 Beta-secretase 2 0.802 0.925 0.814 0.749 0.881 0.855 0.934 0.857 0.825 0.890

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