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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: DB00733
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter		 Image
1 Approved;
Vet approved		 SmallMoleculeDrug DB00733 Pralidoxime Thumb


2 known interactions (targets) of input drug (DB00733): Pralidoxime
No. Gene UniProt ID Protein Name Pathway PDB
1 ACHE P22303 Acetylcholinesterase hsa00564; hsa04725 1B41; 1F8U; 1PUV; 1PUW; 1VZJ; 2CLJ; 2X8B; 3LII; 4BDT; 4EY4; 4EY5; 4EY6; 4EY7; 4EY8; 4M0E; 4M0F; 4PQE
2 BCHE P06276 Cholinesterase NA


20 predicted interactions (targets) of input drug (DB00733): Pralidoxime
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 16.9%
2 PLD2 O14939 Phospholipase D2 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05231 NA 16.4%
3 PCYT1B Q9Y5K3 Choline-phosphate cytidylyltransferase B hsa00440; hsa00564; hsa01100; hsa05231 NA 15.5%
4 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 15.2%
5 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 15.1%
6 PCYT1A P49585 Choline-phosphate cytidylyltransferase A hsa00440; hsa00564; hsa01100; hsa05231 NA 14.8%
7 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 14.8%
8 CHRNA2 Q15822 Neuronal acetylcholine receptor subunit alpha-2 hsa04080 NA 14.6%
9 PLD1 Q13393 Phospholipase D1 hsa00564; hsa00565; hsa01100; hsa04014; hsa04024; hsa04071; hsa04072; hsa04144; hsa04666; hsa04724; hsa04912; hsa04928; hsa05200; hsa05212; hsa05231 NA 14.5%
10 AKR1C1 Q04828 Aldo-keto reductase family 1 member C1 hsa00140; hsa00980 1MRQ; 3C3U; 3GUG; 3NTY 14.3%
11 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 14.1%
12 PHOSPHO1 Q8TCT1 Phosphoethanolamine/phosphocholine phosphatase hsa00564; hsa01100 NA 13.7%
13 MPL P40238 Thrombopoietin receptor hsa04060; hsa04630 NA 12.8%
14 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 12.6%
15 NR1I3 Q14994 Nuclear receptor subfamily 1 group I member 3 NA 1XV9; 1XVP 12.5%
16 ADORA2A P29274 Adenosine receptor A2a hsa04015; hsa04020; hsa04024; hsa04080; hsa04270; hsa05012; hsa05034 1MMH; 1UPE; 2YDO; 2YDV; 3EML; 3PWH; 3QAK; 3REY; 3RFM; 3UZA; 3UZC; 3VG9; 3VGA; 4EIY; 4UG2; 4UHR 12.3%
17 GM2A P17900 Ganglioside GM2 activator hsa04142 1G13; 1PU5; 1PUB; 1TJJ; 2AF9; 2AG2; 2AG4; 2AG9 12.2%
18 DRD5 P21918 D(1B) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04728 NA 11.9%
19 CHRNB3 Q05901 Neuronal acetylcholine receptor subunit beta-3 hsa04080 NA 11.9%
20 GSR P00390 Glutathione reductase, mitochondrial hsa00480; hsa04918 11.8%


  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.