QuartataWeb
Home  |   About  |   Theory  |   Tutorials  |   FAQ  |   Bahar Lab  |   Statistics
 

Network of interactions between drugs (red spheres) and targets (blue spheres) is displayed above.
The red lines are used for the predicted interactions and the thickness of edges indicate the confidence score of predictions.

Data source: DrugBank-all; Query type: chemical; # of requested predictions: 20; Secondary interactions: no
Input drug 1: DB02659
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved SmallMoleculeDrug DB02659 Cholic Acid Thumb


22 known interactions (targets) of input drug (DB02659): Cholic Acid
No. Gene UniProt ID Protein Name Pathway PDB
1 MT-CO1 P00395 Cytochrome c oxidase subunit 1 hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
2 FECH P22830 Ferrochelatase, mitochondrial hsa00860; hsa01100
3 CES1 P23141 Liver carboxylesterase 1 hsa00983; hsa01100 1MX1; 1MX5; 1MX9; 1YA4; 1YA8; 1YAH; 1YAJ; 2DQY; 2DQZ; 2DR0; 2H7C; 2HRQ; 2HRR; 3K9B; 4AB1
4 PLA2G1B P04054 Phospholipase A2 hsa00564; hsa00565; hsa00590; hsa00591; hsa00592; hsa01100; hsa04014; hsa04270; hsa04972; hsa04975 1YSK; 3ELO
5 COX6A2 Q02221 Cytochrome c oxidase subunit 6A2, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
6 GPBAR1 Q8TDU6 G-protein coupled bile acid receptor 1 NA NA
7 MT-CO3 P00414 Cytochrome c oxidase subunit 3 hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
8 DKFZp686P18130 Q7KZA3 Ferrochelatase hsa00860; hsa01100 NA
9 COX6C P09669 Cytochrome c oxidase subunit 6C hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
10 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC
11 MT-CO2 P00403 Cytochrome c oxidase subunit 2 hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 3VRJ
12 COX8A P10176 Cytochrome c oxidase subunit 8A, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
13 NR1H4 Q96RI1 Bile acid receptor hsa04976
14 COX7A1 P24310 Cytochrome c oxidase subunit 7A1, mitochondrial hsa00190; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
15 COX5B P10606 Cytochrome c oxidase subunit 5B, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
16 COX4I1 P13073 Cytochrome c oxidase subunit 4 isoform 1, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
17 COX7C P15954 Cytochrome c oxidase subunit 7C, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
18 COX6B1 P14854 Cytochrome c oxidase subunit 6B1 hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
19 FABP6 P51161 Gastrotropin hsa03320 1O1U; 1O1V; 2MM3
20 ADH1C P00326 Alcohol dehydrogenase 1C hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DDA; 1HT0; 1U3W
21 COX7B P24311 Cytochrome c oxidase subunit 7B, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA
22 COX5A P20674 Cytochrome c oxidase subunit 5A, mitochondrial hsa00190; hsa01100; hsa04260; hsa04714; hsa04932; hsa05010; hsa05012; hsa05016 NA


20 predicted interactions (targets) of input drug (DB02659): Cholic Acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 PTPN1 P18031 Tyrosine-protein phosphatase non-receptor type 1 hsa04520; hsa04910; hsa04931 56.7%
2 MT-ND1 P03886 NADH-ubiquinone oxidoreductase chain 1 hsa00190; hsa01100; hsa04714; hsa04723; hsa05012 NA 44.8%
3 RABGGTB P53611 Geranylgeranyl transferase type-2 subunit beta NA NA 44.3%
4 HLA-B P03989 HLA class I histocompatibility antigen, B-27 alpha chain NA 43.7%
5 RABGGTA Q92696 Geranylgeranyl transferase type-2 subunit alpha NA NA 42.5%
6 S100G P29377 Protein S100-G hsa04978 NA 42.5%
7 UBC P0CG48 Polyubiquitin-C hsa03320
1C3T; 1CMX; 1D3Z; 1F9J; 1FXT; 1G6J; 1GJZ; 1NBF; 1OGW; 1Q5W; 1S1Q; 1SIF; 1TBE; 1UBI; 1UBQ; 1UD7; 1XD3; 1XQQ; 1YX5; 1YX6; 1ZGU; 1ZO6; 2AYO; 2BGF; 2DEN; 2FUH; 2G45; 2GBJ; 2GBK; 2GBM; 2GBN; 2GBR; 2GMI; 2HTH; 2IBI; 2J7Q; 2JF5; 2JRI; 2JY6; 2JZZ; 2K25; 2K6D; 2K8B; 2K8C; 2KDF; 2KHW; 2KJH; 2KLG; 2KN5; 2KX0; 2L3Z; 2LD9; 2LVO; 2LVP; 2LVQ; 2LZ6; 2MBO; 2MBQ; 2MCN; 2MI8; 2MJ5; 2MOR; 2MRE; 2MWS; 2N2K; 2NR2; 2O6V; 2OJR; 2PE9; 2PEA; 2RR9; 2RU6; 2W9N; 2WDT; 2XEW; 2Y5B; 2Z59; 2ZCB; 2ZVN; 2ZVO; 3A33; 3ALB; 3AUL; 3B08; 3B0A; 3BY4; 3C0R; 3DVG; 3DVN; 3EEC; 3EFU; 3EHV; 3H7P; 3H7S; 3HM3; 3I3T; 3IFW; 3IHP; 3JSV; 3JVZ; 3JW0; 3K9O; 3K9P; 3KVF; 3KW5; 3LDZ; 3MHS; 3MTN; 3N30; 3N32; 3N3K; 3NS8; 3O65; 3OFI; 3OJ3; 3OJ4; 3ONS; 3PRM; 3PT2; 3PTF; 3Q3F; 3RUL; 3TMP; 3U30; 3UGB; 3V6C; 3V6E; 3VFK; 3VUW; 3VUX; 3VUY; 3WXE; 3WXF; 3ZLZ; 3ZNH; 3ZNI; 3ZNZ; 4AUQ; 4BOS; 4BOZ; 4BVU; 4DDG; 4DDI; 4DHJ; 4DHZ; 4FJV; 4HK2; 4HXD; 4I6L; 4I6N; 4IG7; 4IUM; 4JQW; 4K1R; 4K7S; 4K7U; 4K7W; 4KSK; 4KSL; 4LCD; 4LDT; 4MDK; 4MM3; 4MSM; 4MSQ; 4NQK; 4UN2; 4V3K; 4V3L; 4WZP; 4XOK; 4XOL; 5A5B; 5AF4; 5AF5; 5AF6; 5AIT; 5AIU
 40.9%
8 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 39.5%
9 CLPP Q16740 ATP-dependent Clp protease proteolytic subunit, mitochondrial NA 1TG6 39.4%
10 MT-ATP6 P00846 ATP synthase subunit a hsa00190; hsa01100; hsa04714; hsa05010; hsa05012; hsa05016 NA 33.0%
11 B2M P61769 Beta-2-microglobulin hsa04612; hsa05163; hsa05170
1A1M; 1A1N; 1A1O; 1A6Z; 1A9B; 1A9E; 1AGB; 1AGC; 1AGD; 1AGE; 1AGF; 1AKJ; 1AO7; 1B0G; 1B0R; 1BD2; 1C16; 1CE6; 1CG9; 1DE4; 1DUY; 1DUZ; 1E27; 1E28; 1EEY; 1EEZ; 1EFX; 1EXU; 1GZP; 1GZQ; 1HHG; 1HHH; 1HHI; 1HHJ; 1HHK; 1HLA; 1HSA; 1HSB; 1I1F; 1I1Y; 1I4F; 1I7R; 1I7T; 1I7U; 1IM3; 1IM9; 1JF1; 1JGD; 1JGE; 1JHT; 1JNJ; 1K5N; 1KPR; 1KTL; 1LDS; 1LP9; 1M05; 1M6O; 1MHE; 1MI5; 1N2R; 1OF2; 1OGA; 1OGT; 1ONQ; 1P7Q; 1PY4; 1Q94; 1QEW; 1QLF; 1QQD; 1QR1; 1QRN; 1QSE; 1QSF; 1QVO; 1R3H; 1S8D; 1S9W; 1S9X; 1S9Y; 1SYS; 1SYV; 1T1W; 1T1X; 1T1Y; 1T1Z; 1T20; 1T21; 1T22; 1TMC; 1TVB; 1TVH; 1UQS; 1UR7; 1UXS; 1UXW; 1VGK; 1W0V; 1W0W; 1W72; 1X7Q; 1XH3; 1XR8; 1XR9; 1XZ0; 1YDP; 1YPZ; 1ZHK; 1ZHL; 1ZS8; 1ZSD; 1ZT4; 1ZVS; 2A83; 2AK4; 2AV1; 2AV7; 2AXF; 2AXG; 2BCK; 2BNQ; 2BNR; 2BSR; 2BSS; 2BST; 2BVO; 2BVP; 2BVQ; 2C7U; 2CII; 2CIK; 2CLR; 2D31; 2D4D; 2D4F; 2DYP; 2E8D; 2ESV; 2F53; 2F54; 2F74; 2F8O; 2FYY; 2FZ3; 2GIT; 2GJ6; 2GT9; 2GTW; 2GTZ; 2GUO; 2H26; 2H6P; 2HJK; 2HJL; 2HLA; 2HN7; 2J8U; 2JCC; 2NW3; 2NX5; 2P5E; 2P5W; 2PO6; 2PYE; 2RFX; 2UWE; 2V2W; 2V2X; 2VB5; 2VLJ; 2VLK; 2VLL; 2VLR; 2X4N; 2X4O; 2X4P; 2X4Q; 2X4R; 2X4S; 2X4T; 2X4U; 2X70; 2X89; 2XKS; 2XKU; 2XPG; 2YPK; 2YPL; 2YXF; 2Z9T; 3AM8; 3B3I; 3B6S; 3BGM; 3BH8; 3BH9; 3BHB; 3BO8; 3BP4; 3BP7; 3BVN; 3BW9; 3BWA; 3BXN; 3BZE; 3BZF; 3C9N; 3CDG; 3CII; 3CIQ; 3CZF; 3D18; 3D25; 3D2U; 3D39; 3D3V; 3DBX; 3DHJ; 3DHM; 3DTX; 3DX6; 3DX7; 3DX8; 3DXA; 3EKC; 3FFC; 3FQN; 3FQR; 3FQT; 3FQU; 3FQW; 3FQX; 3FT2; 3FT3; 3FT4; 3GIV; 3GJF; 3GSN; 3GSO; 3GSQ; 3GSR; 3GSU; 3GSV; 3GSW; 3GSX; 3H7B; 3H9H; 3H9S; 3HAE; 3HCV; 3HG1; 3HLA; 3HPJ; 3HUJ; 3I6G; 3I6K; 3I6L; 3IB4; 3IXA; 3JTS; 3KLA; 3KPL; 3KPM; 3KPN; 3KPO; 3KPP; 3KPQ; 3KPR; 3KPS; 3KWW; 3KXF; 3KYN; 3KYO; 3L3D; 3L3G; 3L3I; 3L3J; 3L3K; 3LKN; 3LKO; 3LKP; 3LKQ; 3LKR; 3LKS; 3LN4; 3LN5; 3LOW; 3LOZ; 3LV3; 3M17; 3M1B; 3MGO; 3MGT; 3MR9; 3MRB; 3MRC; 3MRD; 3MRE; 3MRF; 3MRG; 3MRH; 3MRI; 3MRJ; 3MRK; 3MRL; 3MRM; 3MRN; 3MRO; 3MRP; 3MRQ; 3MRR; 3MV7; 3MV8; 3MV9; 3MYJ; 3MYZ; 3MZT; 3NA4; 3NFN; 3O3A; 3O3B; 3O3D; 3O3E; 3O4L; 3OV6; 3OX8; 3OXR; 3OXS; 3PWJ; 3PWL; 3PWN; 3PWP; 3QDA; 3QDG; 3QDJ; 3QDM; 3QEQ; 3QFD; 3QFJ; 3QZW; 3REW; 3RL1; 3RL2; 3RWJ; 3S6C; 3SDX; 3SJV; 3SKM; 3SKO; 3SPV; 3T8X; 3TID; 3TIE; 3TLR; 3TM6; 3TO2; 3TZV; 3U0P; 3UPR; 3UTQ; 3UTS; 3UTT; 3V5D; 3V5H; 3V5K; 3VCL; 3VFM; 3VFN; 3VFO; 3VFP; 3VFR; 3VFS; 3VFT; 3VFU; 3VFV; 3VFW; 3VH8; 3VRI; 3VRJ; 3VWJ; 3VWK; 3VXM; 3VXN; 3VXO; 3VXP; 3VXR; 3VXS; 3VXU; 3W0W; 3W39; 3WL9; 3WLB; 3WUW; 3X11; 3X12; 3X13; 3X14; 4BEO; 4E0K; 4E0L; 4E5X; 4EN3; 4EUP; 4EUQ; 4F7M; 4F7P; 4F7T; 4FTV; 4FXL; 4G8G; 4G8I; 4G9D; 4G9F; 4GKN; 4GKS; 4GUP; 4HKJ; 4HWZ; 4HX1; 4I48; 4I4W; 4JFD; 4JFE; 4JFF; 4JFO; 4JFP; 4JFQ; 4JQV; 4JQX; 4JRX; 4JRY; 4K71; 4K7F; 4KDT; 4L29; 4L3C; 4L3E; 4L4T; 4L4V; 4LCW; 4LCY; 4LHU; 4LNR; 4M8V; 4MJ5; 4MJ6; 4MJI; 4MNQ; 4N0F; 4N0U; 4N8V; 4NNX; 4NNY; 4NO0; 4NO2; 4NO3; 4NO5; 4NQC; 4NQD; 4NQE; 4NQV; 4NQX; 4NT6; 4O2C; 4O2E; 4O2F; 4ONO; 4PJ5; 4PJ7; 4PJ8; 4PJ9; 4PJA; 4PJB; 4PJC; 4PJD; 4PJE; 4PJF; 4PJG; 4PJH; 4PJI; 4PJX; 4PR5; 4PRA; 4PRB; 4PRD; 4PRE; 4PRH; 4PRI; 4PRN; 4PRP; 4QOK; 4QRP; 4QRQ; 4QRR; 4QRS; 4QRT; 4QRU; 4R9H; 4RA3; 4RAH; 4RMQ; 4RMR; 4RMS; 4RMT; 4RMU; 4RMV; 4RMW; 4U1H; 4U1I; 4U1J; 4U1K; 4U1L; 4U1M; 4U1N; 4U1S; 4U6X; 4U6Y; 4UQ2; 4UQ3; 4WDI; 4WJ5; 4WO4; 4WU5; 4WU7; 4X6C; 4X6D; 4X6E; 4X6F; 4XXC; 4Z76; 4Z77; 4Z78; 5BXF; 5D2L; 5D2N; 5DEF; 5DEG
 32.9%
12 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH 30.5%
13 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 30.2%
14 NR3C1 P04150 Glucocorticoid receptor hsa04080 1M2Z; 1NHZ; 1P93; 3BQD; 3CLD; 3E7C; 3H52; 3K22; 3K23; 4CSJ; 4HN5; 4HN6; 4LSJ; 4MDD; 4P6W; 4P6X 28.8%
15 S100B P04271 Protein S100-B NA 1MQ1; 1UWO; 2H61; 2M49; 2PRU; 3CZT; 3D0Y; 3D10; 3HCM; 4XYN; 5CSF; 5CSI; 5CSJ; 5CSN 28.5%
16 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 28.2%
17 AKR1C2 P52895 Aldo-keto reductase family 1 member C2 hsa00140; hsa05204 1IHI; 1J96; 1XJB; 2HDJ; 2IPJ; 4JQ1; 4JQ2; 4JQ3; 4JQ4; 4JQA; 4JTQ; 4JTR; 4L1W; 4L1X 28.1%
18 MMP12 P39900 Macrophage metalloelastase NA 27.9%
19 AGTR1 P30556 Type-1 angiotensin II receptor hsa04020; hsa04022; hsa04072; hsa04080; hsa04261; hsa04270; hsa04371; hsa04614; hsa04924; hsa04925; hsa04927; hsa04933; hsa04934; hsa05200 1ZV0; 4YAY; 4ZUD 27.8%
20 ABCB1 P08183 Multidrug resistance protein 1 hsa02010; hsa04976; hsa05206; hsa05226 NA 27.7%


  logl

Reference:  Hongchun Li, Fen Pei, D. Lansing Taylor and Ivet Bahar. (2020) QuartataWeb: Integrated Chemical–Protein-Pathway Mapping for Polypharmacology and Chemogenomics. Bioinformatics 36(12), 3935–3937.

Contact:

The QuartataWeb server is maintained by the Bahar Lab at the Department of Computational & Systems Biology at the University of Pittsburgh, School of Medicine, and sponsored by the NIH awards P41 GM103712 and P01 DK096990; and by the Li Lab at Research Center for Computer-Aided Drug Discovery at Shenzhen Institutes of Advanced Technology, CAS.

For questions and comments please contact Hongchun Li.