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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: DB00637
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Approved;
Withdrawn
SmallMoleculeDrug DB00637 Astemizole Thumb


4 known interactions (targets) of input drug (DB00637): Astemizole
No. Gene UniProt ID Protein Name Pathway PDB
1 KCNH1 O95259 Potassium voltage-gated channel subfamily H member 1 NA NA
2 MAPT P10636 Microtubule-associated protein tau hsa04010; hsa05010 1I8H; 2MZ7; 2ON9; 3OVL; 4E0M; 4E0N; 4E0O; 4FL5; 4GLR; 4NP8; 4TQE
3 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE
4 KCNH2 Q12809 Potassium voltage-gated channel subfamily H member 2 NA 1BYW; 1UJL; 2L0W; 2L1M; 2L4R; 2LE7; 4HP9; 4HQA


20 predicted interactions (targets) of input drug (DB00637): Astemizole
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 CHRM1 P11229 Muscarinic acetylcholine receptor M1 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 NA 51.2%
2 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 45.8%
3 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 44.8%
4 HTR2C P28335 5-hydroxytryptamine receptor 2C hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 44.6%
5 HTR6 P50406 5-hydroxytryptamine receptor 6 hsa04020; hsa04024; hsa04080; hsa04726 NA 44.0%
6 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 43.7%
7 SLC6A2 P23975 Sodium-dependent noradrenaline transporter NA NA 42.3%
8 CHRM5 P08912 Muscarinic acetylcholine receptor M5 hsa04020; hsa04080; hsa04725; hsa04810 NA 40.6%
9 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 40.3%
10 CHRM3 P20309 Muscarinic acetylcholine receptor M3 hsa04020; hsa04080; hsa04725; hsa04742; hsa04810; hsa04911; hsa04970; hsa04971; hsa04972 2CSA 40.3%
11 CHRM2 P08172 Muscarinic acetylcholine receptor M2 hsa04020; hsa04024; hsa04080; hsa04151; hsa04725; hsa04810 1LUB; 3UON; 4MQS; 4MQT 39.9%
12 CHRM4 P08173 Muscarinic acetylcholine receptor M4 hsa04080; hsa04725; hsa04810 NA 37.2%
13 HTR1A P08908 5-hydroxytryptamine receptor 1A hsa04024; hsa04080; hsa04726; hsa04742 NA 36.0%
14 HTR2A P28223 5-hydroxytryptamine receptor 2A hsa04020; hsa04080; hsa04540; hsa04726; hsa04750 NA 35.6%
15 HRH2 P25021 Histamine H2 receptor hsa04020; hsa04080; hsa04971 NA 35.1%
16 DRD1 P21728 D(1A) dopamine receptor hsa04020; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05031; hsa05032; hsa05034 1OZ5 33.4%
17 DRD2 P14416 D(2) dopamine receptor hsa04015; hsa04024; hsa04080; hsa04540; hsa04728; hsa05012; hsa05030; hsa05034 1I15; 5AER 32.8%
18 HTR3A P46098 5-hydroxytryptamine receptor 3A hsa04726; hsa04742 NA 32.7%
19 ADRA2B P18089 Alpha-2B adrenergic receptor hsa04022; hsa04080 2CVA 31.9%
20 HRH4 Q9H3N8 Histamine H4 receptor hsa04080 NA 31.7%



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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.