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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: DB01393
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Investigational
SmallMoleculeDrug DB01393 Bezafibrate Thumb


7 known interactions (targets) of input drug (DB01393): Bezafibrate
No. Gene UniProt ID Protein Name Pathway PDB
1 NR1I2 O75469 Nuclear receptor subfamily 1 group I member 2 NA
2 RXRB P28702 Retinoic acid receptor RXR-beta hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 1H9U; 1UHL
3 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226
4 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221
5 RXRG P48443 Retinoic acid receptor RXR-gamma hsa03320; hsa04659; hsa04919; hsa04920; hsa04928; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 2GL8
6 PPARG P37231 Peroxisome proliferator-activated receptor gamma hsa03320; hsa04152; hsa04211; hsa04380; hsa04714; hsa05016; hsa05200; hsa05202; hsa05216
1FM6; 1FM9; 1I7I; 1K74; 1KNU; 1NYX; 1PRG; 1RDT; 1WM0; 1ZEO; 1ZGY; 2ATH; 2F4B; 2FVJ; 2G0G; 2G0H; 2GTK; 2HFP; 2HWQ; 2HWR; 2I4J; 2I4P; 2I4Z; 2OM9; 2P4Y; 2POB; 2PRG; 2Q59; 2Q5P; 2Q5S; 2Q61; 2Q6R; 2Q6S; 2Q8S; 2QMV; 2VSR; 2VST; 2VV0; 2VV1; 2VV2; 2VV3; 2VV4; 2XKW; 2YFE; 2ZK0; 2ZK1; 2ZK2; 2ZK3; 2ZK4; 2ZK5; 2ZK6; 2ZNO; 2ZVT; 3ADS; 3ADT; 3ADU; 3ADV; 3ADW; 3ADX; 3AN3; 3AN4; 3B0Q; 3B0R; 3B1M; 3B3K; 3BC5; 3CDP; 3CDS; 3CS8; 3CWD; 3D6D; 3DZU; 3DZY; 3E00; 3ET0; 3ET3; 3FEJ; 3FUR; 3G9E; 3GBK; 3H0A; 3HO0; 3HOD; 3IA6; 3K8S; 3KMG; 3LMP; 3NOA; 3OSI; 3OSW; 3PBA; 3PO9; 3PRG; 3QT0; 3R5N; 3R8A; 3R8I; 3S9S; 3SZ1; 3T03; 3TY0; 3U9Q; 3V9T; 3V9V; 3V9Y; 3VJH; 3VJI; 3VN2; 3VSO; 3VSP; 3WJ4; 3WJ5; 3WMH; 3X1H; 3X1I; 4A4V; 4A4W; 4CI5; 4E4K; 4E4Q; 4EM9; 4EMA; 4F9M; 4FGY; 4HEE; 4JAZ; 4JL4; 4L96; 4L98; 4O8F; 4OJ4; 4PRG; 4PVU; 4PWL; 4R2U; 4R6S; 4XLD; 4XTA; 4XUM; 4Y29
7 PPARA Q07869 Peroxisome proliferator-activated receptor alpha hsa03320; hsa04024; hsa04920; hsa04922; hsa04931; hsa04932; hsa05160 1I7G; 1K7L; 1KKQ; 2NPA; 2P54; 2REW; 2ZNN; 3ET1; 3FEI; 3G8I; 3KDT; 3KDU; 3SP6; 3VI8; 4BCR; 4CI4


20 predicted interactions (targets) of input drug (DB01393): Bezafibrate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 NCOA1 Q15788 Nuclear receptor coactivator 1 hsa04915; hsa04919; hsa05200; hsa05224 39.6%
2 ACSL4 O60488 Long-chain-fatty-acid--CoA ligase 4 hsa00061; hsa00071; hsa01100; hsa01212; hsa03320; hsa04146; hsa04216; hsa04714; hsa04920 NA 38.3%
3 NCOA2 Q15596 Nuclear receptor coactivator 2 hsa04915; hsa04919 35.3%
4 SHBG P04278 Sex hormone-binding globulin NA 1D2S; 1F5F; 1KDK; 1KDM; 1LHN; 1LHO; 1LHU; 1LHV; 1LHW 30.6%
5 RARA P10276 Retinoic acid receptor alpha hsa04659; hsa04915; hsa05200; hsa05202; hsa05221 1DKF; 1DSZ; 3A9E; 3KMR; 3KMZ; 4DQM 30.6%
6 ESR1 P03372 Estrogen receptor hsa01522; hsa04915; hsa04917; hsa04919; hsa04961; hsa05200; hsa05205; hsa05224 29.7%
7 SREBF1 P36956 Sterol regulatory element-binding protein 1 hsa04152; hsa04910; hsa04931; hsa04932 1AM9 29.0%
8 mmp20 O43923 Matrix metalloproteinase-25 NA NA 29.0%
9 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 28.5%
10 GLTP Q9NZD2 Glycolipid transfer protein NA 26.2%
11 ESR2 Q92731 Estrogen receptor beta hsa01522; hsa04915; hsa04917; hsa05200; hsa05224 26.2%
12 ESRRA P11474 Steroid hormone receptor ERR1 NA 1XB7; 2PJL; 3D24; 3K6P 26.1%
13 PTGS2 P35354 Prostaglandin G/H synthase 2 hsa00590; hsa01100; hsa04064; hsa04370; hsa04625; hsa04657; hsa04668; hsa04723; hsa04726; hsa04913; hsa04921; hsa04923; hsa05140; hsa05163; hsa05165; hsa05167; hsa05200; hsa05204; hsa05206; hsa05222 1V0X 25.5%
14 ESRRG P62508 Estrogen-related receptor gamma NA 1KV6; 1TFC; 1VJB; 2E2R; 2EWP; 2GP7; 2GPO; 2GPP; 2GPU; 2GPV; 2P7A; 2P7G; 2P7Z; 2ZAS; 2ZBS; 2ZKC 23.9%
15 RARB P10826 Retinoic acid receptor beta hsa05200; hsa05222; hsa05223; hsa05226 1HRA; 1XAP; 4DM6; 4DM8; 4JYG; 4JYH; 4JYI 23.8%
16 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8 23.7%
17 PGR P06401 Progesterone receptor hsa04114; hsa04914; hsa04915; hsa05224 1A28; 1E3K; 1SQN; 1SR7; 1ZUC; 2C7A; 2OVH; 2OVM; 2W8Y; 3D90; 3G8O; 3HQ5; 3KBA; 3ZR7; 3ZRA; 3ZRB; 4A2J; 4APU; 4OAR 23.4%
18 NR1H4 Q96RI1 Bile acid receptor hsa04976 22.7%
19 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 22.1%
20 SCN1A P35498 Sodium channel protein type 1 subunit alpha hsa04728 NA 21.9%



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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.