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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: DB02685
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
1 Experimental SmallMoleculeDrug DB02685 3-Methylphenylalanine Thumb

1 known interactions (targets) of input drug (DB02685): 3-Methylphenylalanine
No. Gene UniProt ID Protein Name Pathway PDB
1 CTSB P07858 Cathepsin B hsa04140; hsa04142; hsa04210; hsa04612; hsa04621; hsa04924 1CSB; 1GMY; 1HUC; 1PBH; 2IPP; 2PBH; 3AI8; 3CBJ; 3CBK; 3K9M; 3PBH

16 predicted interactions (targets) of input drug (DB02685): 3-Methylphenylalanine
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 ABO P16442 Histo-blood group ABO system transferase hsa00601; hsa01100 14.5%
2 CTSF Q9UBX1 Cathepsin F hsa04142; hsa04210 1D5U; 1M6D 13.7%
3 CACNA1A O00555 Voltage-dependent P/Q-type calcium channel subunit alpha-1A hsa04010; hsa04020; hsa04721; hsa04723; hsa04724; hsa04725; hsa04726; hsa04727; hsa04728; hsa04730; hsa04742; hsa04930; hsa05032; hsa05033 3BXK 12.8%
4 IMPDH1 P20839 Inosine-5'-monophosphate dehydrogenase 1 hsa00230; hsa00983; hsa01100 1JCN 12.4%
5 SCN10A Q9Y5Y9 Sodium channel protein type 10 subunit alpha NA NA 12.3%
6 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 12.3%
7 HMOX1 P09601 Heme oxygenase 1 hsa00860; hsa01100; hsa04066; hsa04216; hsa04978; hsa05200; hsa05206; hsa05225; hsa05418 12.1%
8 FKBP1A P62942 Peptidyl-prolyl cis-trans isomerase FKBP1A NA 12.1%
9 PARP3 Q9Y6F1 Poly [ADP-ribose] polymerase 3 hsa03410; hsa04210; hsa04217 2EOC; 3C49; 3C4H; 3CE0; 3FHB; 4GV0; 4GV2; 4GV4; 4L6Z; 4L70; 4L7L; 4L7N; 4L7O; 4L7P; 4L7R; 4L7U 12.0%
10 GAA P10253 Lysosomal alpha-glucosidase hsa00052; hsa00500; hsa01100; hsa04142 NA 11.5%
11 PARP1 P09874 Poly [ADP-ribose] polymerase 1 hsa03410; hsa04064; hsa04210; hsa04217 11.1%
12 PTGS1 P23219 Prostaglandin G/H synthase 1 hsa00590; hsa01100; hsa04611; hsa04726; hsa04923 NA 10.6%
13 ATP1A1 P05023 Sodium/potassium-transporting ATPase subunit alpha-1 hsa04022; hsa04024; hsa04260; hsa04261; hsa04911; hsa04918; hsa04919; hsa04925; hsa04960; hsa04961; hsa04964; hsa04970; hsa04971; hsa04972; hsa04973; hsa04974; hsa04976; hsa04978 NA 10.6%
14 THRB P10828 Thyroid hormone receptor beta hsa04080; hsa04919 1BSX; 1N46; 1NAX; 1NQ0; 1NQ1; 1NQ2; 1NUO; 1Q4X; 1R6G; 1XZX; 1Y0X; 2J4A; 2NLL; 2PIN; 3D57; 3GWS; 3IMY; 3JZC; 4ZO1 10.5%
15 ADH1B P00325 Alcohol dehydrogenase 1B hsa00010; hsa00071; hsa00350; hsa00830; hsa00980; hsa00982; hsa01100; hsa05204 1DEH; 1HDX; 1HDY; 1HDZ; 1HSZ; 1HTB; 1U3U; 1U3V; 3HUD 10.2%
16 VCAM1 P19320 Vascular cell adhesion protein 1 hsa04064; hsa04514; hsa04668; hsa04670; hsa04933; hsa05143; hsa05144; hsa05166; hsa05418 1IJ9; 1VCA; 1VSC 10.2%


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.


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.