Supplementary Table 6. pharmacophore candidates identified by pharmMapper Pharma Model Norm Fit symple Name Uniplot 2p3g_v 0.9707 MAPKAPK2 MAP kinase-activated protein kinase 2 P49137 3gam_v 0.8849 NQO2 Ribosyldihydronicotinamide dehydrogenase [quinone] P16083 1shj_v 0.8818 CASP7 Caspase-7 CASP7_HUMAN 1e7a_v 0.8008 ALB Serum albumin ALBU_HUMAN 2zas_v 0.7294 ESRRG Estrogen-related receptor gamma P62508 2o65_v 0.702 PIM1 Proto-oncogene serine/threonine-protein kinase Pim-1 PIM1_HUMAN 2ipw_v 0.6914 AKR1B1 Aldose reductase ALDR_HUMAN 3fzk_v 0.6896 HSPA8 Heat shock cognate 71 kDa protein P11142 1fdu_v 0.6888 HSD17B1 Estradiol 17-beta-dehydrogenase 1 P14061 1j99_v 0.6846 SULT2A1 Bile salt sulfotransferase Q06520 1b6a_v 0.6528 METAP2 Methionine aminopeptidase 2 AMPM2_HUMAN 1j78_v 0.6505 VTDB Vitamin D-binding protein VTDB_HUMAN 2zaz_v 0.5891 MAPK14 Mitogen-activated protein kinase 14 Q16539 1mkd_v 0.5789 PDE4D cAMP-specific 3,5-cyclic phosphodiesterase 4D PDE4D_HUMAN 1oiz_v 0.5723 TTPA Alpha-tocopherol transfer protein P49638 1ctr_v 0.5687 Calmodulin Calmodulin CALM_HUMAN 1ype_v 0.5659 F2 Prothrombin THRB_HUMAN 2vww_v 0.5598 EPHB4 Ephrin type-B receptor 4 EPHB4_HUMAN 2aa5_v 0.5513 NR3C2 Mineralocorticoid receptor MCR_HUMAN 2fq9_v 0.5423 CTSS Cathepsin S CATS_HUMAN 1tbf_v 0.5371 PDE5A cGMP-specific 3,5-cyclic phosphodiesterase PDE5A_HUMAN 1a28_v 0.516 PGR Progesterone receptor PRGR_HUMAN 3ddp_v 0.5137 CDK2 Cell division protein kinase 2 P24941 3ekr_v 0.5123 HSP90AA1 Heat shock protein HSP 90-alpha P07900 2uwl_v 0.5119 FA10 Coagulation factor X FA10_HUMAN 19gs_v 0.5022 GSTP1 Glutathione S-transferase P GSTP1_HUMAN 1d3g_v 0.502 DHODH Dihydroorotate dehydrogenase, mitochondrial PYRD_HUMAN 1dvu_v 0.5 TTR Transthyretin TTHY_HUMAN 2j4a_v 0.4987 THRB Thyroid hormone receptor beta P10828 1xvp_v 0.4974 NR1I3 Nuclear receptor subfamily 1 group I member 3 NR1I3_HUMAN 2i6b_v 0.4952 ADK Adenosine kinase P55263 2rfn_v 0.4935 MET Hepatocyte growth factor receptor P08581 [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, 2bu5_v 0.4899 PDK2 PDK2_HUMAN mitochondrial 1gse_v 0.4894 GSTA1 Glutathione S-transferase A1 P08263 2zdz_v 0.4847 BACE1 Beta-secretase 1 P56817 1y2h_v 0.4796 PDE4B cAMP-specific 3,5-cyclic phosphodiesterase 4B PDE4B_HUMAN 1r7y_v 0.4763 ABO Histo-blood group ABO system transferase P16442 1kdk_v 0.4742 SHBG Sex hormone-binding globulin SHBG_HUMAN 3f7z_v 0.4722 GSK3B Glycogen synthase kinase-3 beta P49841 1t48_v 0.4712 PTPN1 Tyrosine-protein phosphatase non-receptor type 1 PTN1_HUMAN 1xqc_v 0.4608 ESR1 Estrogen receptor ESR1_HUMAN 1knu_v 0.4598 PPARG Peroxisome proliferator-activated receptor gamma PPARG_HUMAN 1sm2_v 0.4524 ITK Tyrosine-protein kinase ITK/TSK Q08881 1t4e_v 0.4511 MDM2 E3 ubiquitin-protein ligase Mdm2 MDM2_HUMAN 1h1b_v 0.4466 ELANE Leukocyte elastase ELNE_HUMAN 1qab_v 0.4449 RBP4 Retinol-binding protein 4 RET4_HUMAN 3d3e_v 0.4414 HSD11B1 Corticosteroid 11-beta-dehydrogenase isozyme 1 DHI1_HUMAN 1i7g_v 0.4338 PPARA Peroxisome proliferator-activated receptor alpha PPARA_HUMAN 1if5_v 0.4317 CA2 Carbonic anhydrase 2 CAH2_HUMAN 1xq3_v 0.4256 AR Androgen receptor ANDR_HUMAN 1fcz_v 0.4252 RARG Retinoic acid receptor gamma RARG_HUMAN 1mzn_v 0.4251 RXRA Retinoic acid receptor RXR-alpha RXRA_HUMAN 1tou_v 0.4243 FABP4 Fatty acid-binding protein, adipocyte FABP4_HUMAN 1upw_v 0.4227 NR1H2 Oxysterols receptor LXR-beta NR1H2_HUMAN 1w6k_v 0.4206 LSS Lanosterol synthase ERG7_HUMAN Protein farnesyltransferase/geranylgeranyltransferase 1sa4_v 0.4201 FNTA FNTA_HUMAN type-1 subunit alpha 1fe3_v 0.4191 FABP7 Fatty acid-binding protein, brain FABP7_HUMAN 1fls_v 0.4165 MMP13 Collagenase 3 MMP13_HUMAN 1q22_v 0.4152 SULT2B1 Sulfotransferase family cytosolic 2B member 1 O00204 1dxo_v 0.4106 NQO1 NAD(P)H dehydrogenase [quinone] 1 NQO1_HUMAN 2iw6_v 0.4093 CCNA2 Cyclin-A2 CCNA2_HUMAN 2j14_v 0.4073 PPARD Peroxisome proliferator-activated receptor delta PPARD_HUMAN 2hmb_v 0.4043 FABP3 Fatty acid-binding protein, heart FABPH_HUMAN 1uu7_v 0.4021 PDPK1 3-phosphoinositide-dependent protein kinase 1 PDPK1_HUMAN 1p62_v 0.4017 DCK Deoxycytidine kinase DCK_HUMAN 2o9i_v 0.4 NR1I2 Nuclear receptor subfamily 1 group I member 2 NR1I2_HUMAN 1rw8_v 0.3936 TGFBR1 TGF-beta receptor type-1 TGFR1_HUMAN 1g3m_v 0.3888 SULT1E1 Estrogen sulfotransferase ST1E1_HUMAN 3nos_v 0.3819 NOS3 Nitric oxide synthase, endothelial NOS3_HUMAN 2oqv_v 0.3807 DPP4 Dipeptidyl peptidase 4 DPP4_HUMAN 1tfg_v 0.3779 TGFB2 Transforming growth factor beta-2 TGFB2_HUMAN 1jqe_v 0.3716 HNMT Histamine N-methyltransferase P50135 2v11_v 0.3709 REN Renin RENI_HUMAN 1r9o_v 0.37 CYP2C9 Cytochrome P450 2C9 CP2C9_HUMAN 1nhz_v 0.3697 NR3C1 Glucocorticoid receptor GCR_HUMAN 1uym_v 0.3629 HSP90AB1 Heat shock protein HSP 90-beta P08238 1s19_v 0.3601 VDR Vitamin D3 receptor VDR_HUMAN 3c7q_v 0.3552 KDR Vascular endothelial growth factor receptor 2 P35968 1nmz_v 0.3542 DTYMK Thymidylate kinase KTHY_HUMAN 2gqg_v 0.3493 ABL1 Proto-oncogene tyrosine-protein kinase ABL1 P00519 1qpf_v 0.3479 FKBP1A Peptidyl-prolyl cis-trans isomerase FKBP1A FKB1A_HUMAN 1mmb_v 0.3467 MMP8 Neutrophil collagenase MMP8_HUMAN 2ofu_v 0.3458 LCK Proto-oncogene tyrosine-protein kinase LCK LCK_HUMAN 3fxv_v 0.3456 NR1H4 Bile acid receptor Q96RI1 1kqu_v 0.3351 PLA2G2A Phospholipase A2, membrane associated P14555 1lv2_v 0.3318 HNF4G Hepatocyte nuclear factor 4-gamma Q14541 3c4c_v 0.3316 BRAF B-Raf proto-oncogene serine/threonine-protein kinase BRAF1_HUMAN 1t64_v 0.3304 HDAC8 Histone deacetylase 8 HDAC8_HUMAN 1tfq_v 0.3298 XIAP Baculoviral IAP repeat-containing protein 4 XIAP_HUMAN 2fgi_v 0.3287 FGFR1 Basic fibroblast growth factor receptor 1 FGFR1_HUMAN Dual specificity mitogen-activated protein kinase kinase 1s9j_v 0.3246 MAP2K1 MP2K1_HUMAN 1 1xh5_v 0.3216 PRKACA cAMP-dependent protein kinase catalytic subunit alpha P00517 1i7b_v 0.321 AMD1 S-adenosylmethionine decarboxylase proenzyme DCAM_HUMAN 1gmy_v 0.3206 CTSB Cathepsin B CATB_HUMAN 2p4i_v 0.3156 TEK Angiopoietin-1 receptor TIE2_HUMAN 1rhr_v 0.314 CASP3 Caspase-3 CASP3_HUMAN 1itu_v 0.3137 DPEP1 Dipeptidase 1 DPEP1_HUMAN 2bk3_v 0.3099 MAOB Amine oxidase [flavin-containing] B AOFB_HUMAN 1t46_v 0.3087 KIT Mast/stem cell growth factor receptor KIT_HUMAN 3cbs_v 0.3086 CRABP2 Cellular retinoic acid-binding protein 2 P29373 3f7i_v 0.3028 BIRC7 Baculoviral IAP repeat-containing protein 7 Q96CA5 Serine/threonine-protein phosphatase PP1-gamma 1jk7_v 0.2996 PPP1CC P36873 catalytic subunit 1x0n_v 0.2912 GRB2 Growth factor receptor-bound protein 2 GRB2_HUMAN 1o43_v 0.2728 SRC Proto-oncogene tyrosine-protein kinase Src SRC_HUMAN 1s0x_v 0.2722 RORA Nuclear receptor ROR-alpha RORA_HUMAN 1njs_v 0.2636 GART Trifunctional purine biosynthetic protein adenosine-3 PUR2_HUMAN 3cda_v 0.2617 HMGCR 3-hydroxy-3-methylglutaryl-coenzyme A reductase HMDH_HUMAN 1h9u_v 0.2596 RXRB Retinoic acid receptor RXR-beta RXRB_HUMAN 1xap_v 0.2516 RARB Retinoic acid receptor beta RARB_HUMAN 2yxj_v 0.2502 BCL2L1 Bcl-2-like protein 1 Q07817 1p4m_v 0.2319 RFK Riboflavin kinase Q969G6 1ln3_v 0.2172 PCTP Phosphatidylcholine transfer protein Q9UKL6 1dug_v 0.2152 FGG Fibrinogen gamma chain FIBG_HUMAN 1l8j_v 0.2149 PROCR Endothelial protein C receptor EPCR_HUMAN 1ice_v 0.2067 CASP1 Caspase-1 CASP1_HUMAN 1xh0_v 0.1817 AMY2A Pancreatic alpha-amylase AMYP_HUMAN.