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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: DB08121
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB08121 (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid Thumb


1 known interactions (targets) of input drug (DB08121): (2S)-2-(biphenyl-4-yloxy)-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 (DB08121): (2S)-2-(biphenyl-4-yloxy)-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 42.7%
2 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 31.1%
3 ABCC8 Q09428 ATP-binding cassette sub-family C member 8 hsa02010; hsa04911; hsa04930 NA 21.2%
4 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 17.9%
5 SREBF1 P36956 Sterol regulatory element-binding protein 1 hsa04152; hsa04910; hsa04931; hsa04932 1AM9 16.9%
6 mmp20 O43923 Matrix metalloproteinase-25 NA NA 16.6%
7 KDR P35968 Vascular endothelial growth factor receptor 2 hsa01521; hsa04010; hsa04014; hsa04015; hsa04151; hsa04370; hsa04510; hsa05205; hsa05418 15.9%
8 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 14.8%
9 FLT3 P36888 Receptor-type tyrosine-protein kinase FLT3 hsa04010; hsa04014; hsa04151; hsa04640; hsa05200; hsa05202; hsa05221; hsa05230 1RJB; 3QS7; 3QS9; 4RT7; 4XUF 13.7%
10 TRPV1 Q8NER1 Transient receptor potential cation channel subfamily V member 1 hsa04080; hsa04750 NA 13.5%
11 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%
12 LCT P09848 Lactase-phlorizin hydrolase hsa00052; hsa01100; hsa04973 NA 13.0%
13 DRD4 P21917 D(4) dopamine receptor hsa04080; hsa04728 NA 12.9%
14 FABP2 P12104 Fatty acid-binding protein, intestinal hsa03320; hsa04975 1KZW; 1KZX; 2MJI; 2MO5; 3AKM; 3IFB 12.6%
15 PLAT P00750 Tissue-type plasminogen activator hsa04371; hsa04610; hsa05202; hsa05215; hsa05418 1A5H; 1BDA; 1PK2; 1PML; 1RTF; 1TPG; 1TPK; 1TPM; 1TPN; 5BRR 12.3%
16 SLC15A1 P46059 Solute carrier family 15 member 1 hsa04974 NA 12.2%
17 DRD3 P35462 D(3) dopamine receptor hsa04080; hsa04728 3PBL 12.2%
18 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 12.1%
19 THBD P07204 Thrombomodulin hsa04610; hsa04933; hsa05418 1ADX; 1DQB; 1DX5; 1EGT; 1FGD; 1FGE; 1HLT; 1TMR; 1ZAQ; 2ADX; 3GIS 12.1%
20 IKBKB O14920 Inhibitor of nuclear factor kappa-B kinase subunit beta hsa01523; hsa04010; hsa04014; hsa04062; hsa04064; hsa04068; hsa04150; hsa04151; hsa04210; hsa04380; hsa04620; hsa04621; hsa04622; hsa04623; hsa04625; hsa04657; hsa04658; hsa04659; hsa04660; hsa04662; hsa04668; hsa04722; hsa04910; hsa04920; hsa04930; hsa04931; hsa04932; hsa05120; hsa05131; hsa05142; hsa05145; hsa05160; hsa05161; hsa05163; hsa05164; hsa05165; hsa05166; hsa05167; hsa05168; hsa05169; hsa05170; hsa05200; hsa05206; hsa05212; hsa05215; hsa05220; hsa05221; hsa05222; hsa05418 3BRT; 3BRV; 4E3C; 4KIK 12.0%


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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.