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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: DB03900
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB03900 2-Methyl-2-Propanol Thumb


4 known interactions (targets) of input drug (DB03900): 2-Methyl-2-Propanol
No. Gene UniProt ID Protein Name Pathway PDB
1 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH
2 CALM1 P0DP23 Calmodulin NA
3 METAP2 P50579 Methionine aminopeptidase 2 NA 1B59; 1B6A; 1BN5; 1BOA; 1KQ0; 1KQ9; 1QZY; 1R58; 1R5G; 1R5H; 1YW7; 1YW8; 1YW9; 2ADU; 2EA2; 2EA4; 2GA2; 2OAZ
4 TPI1 P60174 Triosephosphate isomerase hsa00010; hsa00051; hsa00562; hsa01100; hsa01200; hsa01230 1HTI; 1KLG; 1KLU; 1WYI; 2IAM; 2IAN; 2JK2; 2VOM; 4BR1; 4E41; 4POC; 4POD; 4UNK; 4UNL


20 predicted interactions (targets) of input drug (DB03900): 2-Methyl-2-Propanol
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 RNASE3 P12724 Eosinophil cationic protein hsa05310 1DYT; 1H1H; 1QMT; 2KB5; 2LVZ; 4A2O; 4A2Y; 4OWZ; 4OXB; 4OXF; 4X08 19.4%
2 PKM P14618 Pyruvate kinase PKM hsa00010; hsa00230; hsa00620; hsa01100; hsa01200; hsa01230; hsa04922; hsa04930; hsa05165; hsa05203; hsa05230 17.1%
3 CALR P27797 Calreticulin hsa04141; hsa04145; hsa04612; hsa05142; hsa05163; hsa05166; hsa05170 2CLR; 3DOW; 3POS; 3POW 16.3%
4 CAD P27708 CAD protein hsa00240; hsa00250; hsa01100 4BY3; 4C6B; 4C6C; 4C6D; 4C6E; 4C6F; 4C6I; 4C6J; 4C6K; 4C6L; 4C6M; 4C6N; 4C6O; 4C6P; 4C6Q 16.1%
5 TYR P14679 Tyrosinase hsa00350; hsa01100; hsa04916 NA 15.8%
6 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 15.7%
7 CYCS P99999 Cytochrome c hsa01524; hsa04115; hsa04210; hsa04215; hsa04932; hsa05010; hsa05012; hsa05014; hsa05016; hsa05134; hsa05145; hsa05152; hsa05161; hsa05163; hsa05164; hsa05167; hsa05168; hsa05170; hsa05200; hsa05210; hsa05222; hsa05416 1J3S; 3NWV; 3ZCF; 3ZOO 15.6%
8 NQO2 P16083 Ribosyldihydronicotinamide dehydrogenase [quinone] NA 15.3%
9 PRDX2 P32119 Peroxiredoxin-2 NA 1QMV 15.0%
10 PPARD Q03181 Peroxisome proliferator-activated receptor delta hsa03320; hsa04310; hsa05200; hsa05221 15.0%
11 UCK2 Q9BZX2 Uridine-cytidine kinase 2 hsa00240; hsa00983; hsa01100 1UDW; 1UEI; 1UEJ; 1UFQ; 1UJ2; 1XRJ 14.9%
12 LSM6 P62312 U6 snRNA-associated Sm-like protein LSm6 hsa03018; hsa03040 NA 14.9%
13 PGK1 P00558 Phosphoglycerate kinase 1 hsa00010; hsa01100; hsa01200; hsa01230; hsa04066 2WZB; 2WZC; 2WZD; 2X13; 2X14; 2X15; 2XE6; 2XE7; 2XE8; 2Y3I; 2YBE; 2ZGV; 3C39; 3C3A; 3C3B; 3C3C; 3ZOZ; 4AXX; 4O33 14.8%
14 TLR4 O00206 Toll-like receptor 4 hsa04064; hsa04066; hsa04145; hsa04151; hsa04217; hsa04620; hsa04621; hsa05130; hsa05132; hsa05133; hsa05134; hsa05140; hsa05142; hsa05144; hsa05145; hsa05146; hsa05152; hsa05161; hsa05162; hsa05164; hsa05170; hsa05205; hsa05321; hsa05323 2Z62; 2Z63; 2Z65; 2Z66; 3FXI; 3UL7; 3UL8; 3UL9; 3ULA; 4G8A 14.7%
15 MMP8 P22894 Neutrophil collagenase NA 14.4%
16 NPR1 P16066 Atrial natriuretic peptide receptor 1 hsa00230; hsa04022; hsa04024; hsa04270; hsa04714; hsa04921; hsa04923; hsa04924; hsa04925 NA 14.1%
17 MPO P05164 Myeloperoxidase hsa00983; hsa04145; hsa05202; hsa05221 1CXP; 1D2V; 1D5L; 1D7W; 1DNU; 1DNW; 1MHL; 1MYP; 3F9P; 3ZS0; 3ZS1; 4C1M; 4DL1; 4EJX; 5FIW 13.9%
18 SLC18A1 P54219 Chromaffin granule amine transporter hsa04721; hsa04726; hsa04728; hsa05012; hsa05030; hsa05031; hsa05034 NA 13.8%
19 HS3ST3A1 Q9Y663 Heparan sulfate glucosamine 3-O-sulfotransferase 3A1 hsa00534 1T8T; 1T8U 13.7%
20 RNASE2 P10153 Non-secretory ribonuclease NA 1GQV; 1HI2; 1HI3; 1HI4; 1HI5; 1K2A; 2BEX; 2BZZ; 2C01; 2C02; 2C05; 5E13 13.6%


  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.