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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: DB06457
No. Group Type Drug ID Drug Name SMILES
⇨ TargetHunter
Image
1 Investigational SmallMoleculeDrug DB06457 Tecastemizole Thumb


1 known interactions (targets) of input drug (DB06457): Tecastemizole
No. Gene UniProt ID Protein Name Pathway PDB
1 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 (DB06457): Tecastemizole
No. Gene UniProt ID Protein Name Pathway PDB Confidence score
1 SCN5A Q14524 Sodium channel protein type 5 subunit alpha hsa04261 2KBI; 2L53; 4DCK; 4DJC; 4JQ0; 4OVN 24.7%
2 SLC6A4 P31645 Sodium-dependent serotonin transporter hsa04726 NA 24.1%
3 ADRA1D P25100 Alpha-1D adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 23.4%
4 ADRA1B P35368 Alpha-1B adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04261; hsa04270; hsa04970 NA 22.2%
5 KCNH7 Q9NS40 Potassium voltage-gated channel subfamily H member 7 NA NA 21.2%
6 TOP2A P11388 DNA topoisomerase 2-alpha hsa01524 1LWZ; 1ZXM; 1ZXN; 4FM9; 4R1F 20.0%
7 KCNH6 Q9H252 Potassium voltage-gated channel subfamily H member 6 NA NA 19.7%
8 ADRA1A P35348 Alpha-1A adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04152; hsa04261; hsa04270; hsa04970 NA 19.2%
9 AR P10275 Androgen receptor hsa04114; hsa05200; hsa05215 19.1%
10 ADRB3 P13945 Beta-3 adrenergic receptor hsa04020; hsa04022; hsa04080; hsa04714; hsa04923; hsa04924; hsa04970 2CDW 18.9%
11 ADRB1 P08588 Beta-1 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04540; hsa04923; hsa04924; hsa04970; hsa05414 2LSQ 18.9%
12 KCND3 Q9UK17 Potassium voltage-gated channel subfamily D member 3 NA 1S1G; 2NZ0 18.8%
13 HRH1 P35367 Histamine H1 receptor hsa04020; hsa04080; hsa04750 3RZE 18.5%
14 ADRA2A P08913 Alpha-2A adrenergic receptor hsa04022; hsa04080 1HLL; 1HO9; 1HOD; 1HOF 17.9%
15 NR3C2 P08235 Mineralocorticoid receptor hsa04960 1Y9R; 1YA3; 2A3I; 2AA2; 2AA5; 2AA6; 2AA7; 2AAX; 2AB2; 2ABI; 2OAX; 3VHU; 3VHV; 3WFF; 3WFG; 4PF3; 4TNT 17.6%
16 ADRB2 P07550 Beta-2 adrenergic receptor hsa04020; hsa04022; hsa04024; hsa04080; hsa04261; hsa04923; hsa04924; hsa04970 1GQ4; 2R4R; 2R4S; 2RH1; 3D4S; 3KJ6; 3NY8; 3NY9; 3NYA; 3P0G; 3PDS; 3SN6; 4GBR; 4LDE; 4LDL; 4LDO; 4QKX 17.2%
17 CACNA1I Q9P0X4 Voltage-dependent T-type calcium channel subunit alpha-1I hsa04010; hsa04020; hsa04713; hsa04925; hsa04927; hsa04934 NA 17.1%
18 ADRA2C P18825 Alpha-2C adrenergic receptor hsa04022; hsa04080 NA 16.8%
19 HRH3 Q9Y5N1 Histamine H3 receptor hsa04080 NA 16.7%
20 CACNB4 O00305 Voltage-dependent L-type calcium channel subunit beta-4 hsa04010; hsa04260; hsa04261; hsa04921; hsa05410; hsa05412; hsa05414 1VYV; 2D46 16.5%



  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.