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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: DB02783
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Experimental SmallMoleculeDrug DB02783 4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate Thumb


1 known interactions (targets) of input drug (DB02783): 4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate
No. Gene UniProt ID Protein Name Pathway PDB
1 GOT2 P00505 Aspartate aminotransferase, mitochondrial hsa00220; hsa00250; hsa00270; hsa00330; hsa00350; hsa00360; hsa00400; hsa01100; hsa01200; hsa01210; hsa01230; hsa04975 NA


20 predicted interactions (targets) of input drug (DB02783): 4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 GIG18 Q2TU84 Aspartate aminotransferase NA NA 23.8%
2 RNASE1 P07998 Ribonuclease pancreatic NA 1DZA; 1E21; 1H8X; 1Z7X; 2E0J; 2E0L; 2E0M; 2E0O; 2K11; 2Q4G; 3F8G; 4KXH 23.0%
3 PLAU P00749 Urokinase-type plasminogen activator hsa04064; hsa04610; hsa05202; hsa05205; hsa05206; hsa05215 19.9%
4 FTCD O95954 Formimidoyltransferase-cyclodeaminase hsa00340; hsa00670; hsa01100 NA 18.6%
5 TUBB1 Q9H4B7 Tubulin beta-1 chain hsa04145; hsa04540; hsa05130 NA 17.9%
6 GOT1 P17174 Aspartate aminotransferase, cytoplasmic hsa00220; hsa00250; hsa00270; hsa00330; hsa00350; hsa00360; hsa00400; hsa01100; hsa01200; hsa01210; hsa01230 3II0; 3WZF 17.9%
7 MMP13 P45452 Collagenase 3 hsa04657; hsa04926; hsa04928 17.8%
8 AVPR1B P47901 Vasopressin V1b receptor hsa04020; hsa04072; hsa04080; hsa04270 NA 17.4%
9 DDC P20711 Aromatic-L-amino-acid decarboxylase hsa00350; hsa00360; hsa00380; hsa01100; hsa04726; hsa04728; hsa05030; hsa05031; hsa05034 3RBF; 3RBL; 3RCH 17.4%
10 CAD P27708 CAD protein hsa00240; hsa00250; hsa01100 4BY3; 4C6B; 4C6C; 4C6D; 4C6E; 4C6F; 4C6I; 4C6J; 4C6K; 4C6L; 4C6M; 4C6N; 4C6O; 4C6P; 4C6Q 17.1%
11 SLC1A1 P43005 Excitatory amino acid transporter 3 hsa04724; hsa04974 NA 16.2%
12 LCK P06239 Tyrosine-protein kinase Lck hsa04064; hsa04380; hsa04650; hsa04658; hsa04659; hsa04660; hsa05166; hsa05340 16.2%
13 SLC25A13 Q9UJS0 Calcium-binding mitochondrial carrier protein Aralar2 NA 4P5W 16.1%
14 TUBB P07437 Tubulin beta chain hsa04145; hsa04540; hsa05130 3QNZ; 3QO0 15.7%
15 PNPO Q9NVS9 Pyridoxine-5'-phosphate oxidase hsa00750; hsa01100 1NRG; 3HY8 15.7%
16 BCAT1 P54687 Branched-chain-amino-acid aminotransferase, cytosolic hsa00270; hsa00280; hsa00290; hsa00770; hsa01100; hsa01210; hsa01230 2ABJ; 2COG; 2COI; 2COJ 15.3%
17 AADAT Q8N5Z0 Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial hsa00310; hsa00380; hsa01100; hsa01210 2QLR; 2R2N; 2VGZ; 2XH1; 3DC1; 3UE8; 4GDY; 4GE4; 4GE7; 4GE9; 4GEB; 5EFS 15.0%
18 ASRGL1 Q7L266 Isoaspartyl peptidase/L-asparaginase NA 3TKJ; 4ET0; 4O0C; 4O0D; 4O0E; 4O0F; 4O0G; 4O0H; 4OSX; 4OSY; 4PVP; 4PVQ; 4PVR; 4PVS 14.8%
19 PSAT1 Q9Y617 Phosphoserine aminotransferase hsa00260; hsa00750; hsa01100; hsa01200; hsa01230 3E77 14.5%
20 NOS1 P29475 Nitric oxide synthase, brain hsa00220; hsa00330; hsa01100; hsa04020; hsa04145; hsa04371; hsa04713; hsa04730; hsa04926; hsa04970; hsa05010; hsa05014 4D1N; 4UCH; 4UH5; 4UH6; 4V3U; 5ADF; 5ADG; 5ADI 14.3%


  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.