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: DB08760
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08760 (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid Thumb


1 known interactions (targets) of input drug (DB08760): (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
No. Gene UniProt ID Protein Name Pathway PDB
1 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


20 predicted interactions (targets) of input drug (DB08760): (2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 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 40.3%
2 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 35.6%
3 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 18.8%
4 HTR2B P41595 5-hydroxytryptamine receptor 2B hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 4IB4; 4NC3 17.5%
5 ABCC8 Q09428 ATP-binding cassette sub-family C member 8 hsa02010; hsa04911; hsa04930 NA 17.0%
6 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 16.0%
7 F2 P00734 Prothrombin hsa04080; hsa04610; hsa04810
1A2C; 1A3B; 1A3E; 1A46; 1A4W; 1A5G; 1A61; 1ABI; 1ABJ; 1AD8; 1AE8; 1AFE; 1AHT; 1AI8; 1AIX; 1AWF; 1AWH; 1AY6; 1B5G; 1B7X; 1BA8; 1BB0; 1BCU; 1BHX; 1BMM; 1BMN; 1BTH; 1C1U; 1C1V; 1C1W; 1C4U; 1C4V; 1C4Y; 1C5L; 1C5N; 1C5O; 1CA8; 1D3D; 1D3P; 1D3Q; 1D3T; 1D4P; 1D6W; 1D9I; 1DE7; 1DIT; 1DM4; 1DOJ; 1DWB; 1DWC; 1DWD; 1DWE; 1DX5; 1E0F; 1EB1; 1EOJ; 1EOL; 1FPC; 1FPH; 1G30; 1G32; 1G37; 1GHV; 1GHW; 1GHX; 1GHY; 1GJ4; 1GJ5; 1H8D; 1H8I; 1HAG; 1HAH; 1HAI; 1HAO; 1HAP; 1HBT; 1HDT; 1HGT; 1HLT; 1HUT; 1HXE; 1HXF; 1IHS; 1IHT; 1JMO; 1JOU; 1JWT; 1K21; 1K22; 1KTS; 1KTT; 1LHC; 1LHD; 1LHE; 1LHF; 1LHG; 1MH0; 1MU6; 1MU8; 1MUE; 1NM6; 1NO9; 1NRN; 1NRO; 1NRP; 1NRQ; 1NRR; 1NRS; 1NT1; 1NU7; 1NU9; 1NY2; 1NZQ; 1O0D; 1O2G; 1O5G; 1OOK; 1OYT; 1P8V; 1PPB; 1QBV; 1QHR; 1QJ1; 1QJ6; 1QJ7; 1QUR; 1RD3; 1RIW; 1SB1; 1SFQ; 1SG8; 1SGI; 1SHH; 1SL3; 1SR5; 1T4U; 1T4V; 1TA2; 1TA6; 1TB6; 1TBZ; 1THP; 1THR; 1THS; 1TMB; 1TMT; 1TMU; 1TOM; 1TQ0; 1TQ7; 1TWX; 1UMA; 1UVS; 1VR1; 1VZQ; 1W7G; 1WAY; 1WBG; 1XM1; 1XMN; 1YPE; 1YPG; 1YPJ; 1YPK; 1YPL; 1YPM; 1Z71; 1Z8I; 1Z8J; 1ZGI; 1ZGV; 1ZRB; 2A0Q; 2A2X; 2A45; 2AFQ; 2ANK; 2ANM; 2B5T; 2BDY; 2BVR; 2BVS; 2BVX; 2BXT; 2BXU; 2C8W; 2C8X; 2C8Y; 2C8Z; 2C90; 2C93; 2CF8; 2CF9; 2CN0; 2FEQ; 2FES; 2GDE; 2GP9; 2H9T; 2HGT; 2HNT; 2HPP; 2HPQ; 2HWL; 2JH0; 2JH5; 2JH6; 2OD3; 2PGB; 2PGQ; 2PKS; 2PW8; 2R2M; 2THF; 2UUF; 2UUJ; 2UUK; 2V3H; 2V3O; 2ZC9; 2ZDA; 2ZDV; 2ZF0; 2ZFF; 2ZFP; 2ZFQ; 2ZFR; 2ZG0; 2ZGB; 2ZGX; 2ZHE; 2ZHF; 2ZHQ; 2ZHW; 2ZI2; 2ZIQ; 2ZNK; 2ZO3; 3B23; 3B9F; 3BEF; 3BEI; 3BF6; 3BIU; 3BIV; 3BV9; 3C1K; 3C27; 3D49; 3DA9; 3DD2; 3DHK; 3DT0; 3DUX; 3E6P; 3EE0; 3EGK; 3EQ0; 3F68; 3GIC; 3GIS; 3HAT; 3HKJ; 3HTC; 3JZ1; 3JZ2; 3K65; 3LDX; 3LU9; 3NXP; 3P17; 3P6Z; 3P70; 3PMH; 3PO1; 3QDZ; 3QGN; 3QLP; 3QTO; 3QTV; 3QWC; 3QX5; 3R3G; 3RLW; 3RLY; 3RM0; 3RM2; 3RML; 3RMM; 3RMN; 3RMO; 3S7H; 3S7K; 3SHA; 3SHC; 3SI3; 3SI4; 3SQE; 3SQH; 3SV2; 3T5F; 3TU7; 3U69; 3U8O; 3U8R; 3U8T; 3U98; 3U9A; 3UTU; 3UWJ; 3VXE; 3VXF; 4AX9; 4AYV; 4AYY; 4AZ2; 4BAH; 4BAK; 4BAM; 4BAN; 4BAO; 4BAQ; 4BOH; 4CH2; 4CH8; 4DIH; 4DII; 4DT7; 4DY7; 4E05; 4E06; 4E7R; 4H6S; 4H6T; 4HFP; 4HTC; 4HZH; 4I7Y; 4LOY; 4LXB; 4LZ1; 4LZ4; 4MLF; 4N3L; 4NZE; 4NZQ; 4O03; 4RKJ; 4RKO; 4RN6; 4THN; 4UD9; 4UDW; 4UE7; 4UEH; 4YES; 5AF9; 5AFY; 5AFZ; 5AHG; 5E8E; 5GDS; 7KME; 8KME
 16.0%
8 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY 15.8%
9 IMPDH2 P12268 Inosine-5'-monophosphate dehydrogenase 2 hsa00230; hsa00983; hsa01100 1B3O; 1NF7; 1NFB 15.8%
10 ACSL4 O60488 Long-chain-fatty-acid--CoA ligase 4 hsa00061; hsa00071; hsa01100; hsa01212; hsa03320; hsa04146; hsa04216; hsa04714; hsa04920 NA 15.6%
11 HTR1F P30939 5-hydroxytryptamine receptor 1F hsa04024; hsa04080; hsa04726; hsa04742 NA 15.3%
12 SLC6A3 Q01959 Sodium-dependent dopamine transporter hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 14.7%
13 ADORA1 P30542 Adenosine receptor A1 hsa04022; hsa04024; hsa04071; hsa04080; hsa04923; hsa04924; hsa05032 NA 14.5%
14 CYP19A1 P11511 Aromatase hsa00140; hsa01100; hsa04913 1TQA; 3EQM; 3S79; 3S7S; 4GL5; 4GL7; 4KQ8 14.1%
15 RXRA P19793 Retinoic acid receptor RXR-alpha hsa03320; hsa04151; hsa04659; hsa04919; hsa04920; hsa04928; hsa04932; hsa04976; hsa05160; hsa05200; hsa05202; hsa05216; hsa05222; hsa05223; hsa05226 14.0%
16 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 13.8%
17 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 13.8%
18 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 13.7%
19 CFTR P13569 Cystic fibrosis transmembrane conductance regulator hsa02010; hsa04024; hsa04152; hsa04530; hsa04971; hsa04972; hsa04976; hsa05110 1NBD; 1XMI; 1XMJ; 2BBO; 2BBS; 2BBT; 2LOB; 2PZE; 2PZF; 2PZG; 3GD7; 3ISW 13.4%
20 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 13.3%


  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.