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Table 4 Target ranking results of the 3NN scheme on nine drugs with hERG toxicity

From: In Silicotarget fishing: addressing a “Big Data” problem by ligand-based similarity rankings with data fusion

Drug Therapeutic target 3NN ranking (TT) 3NN ranking (hERG)
Astemizole H1 receptor 3 2
Cisapride 5-hydroxytryptamine 2A/3/4 receptor 5 6
Sertindole D2 receptor 1 2
5-hydroxytryptamine 2A/2C/6 receptor 4
α-hydroxytr adrenergic receptor 5-7
terfenadine Histamine H1 receptor 2 1
Potassium voltage-gated channel subfamily H member 2 1
M3 5
Sparfloxacin DNA topoisomerase 4 subunit A 2 1
DNA gyrase subunit A 3
DNA topoisomerase 2α 6
Droperidol D2 dopamine receptor 3 1
α2 adrenergic receptor 5
levomethadyl Acetate μAceta opioid receptor 1 27
Neuronal acetylcholine receptor 3
Lidoflazine Calcium channel 1 21
Terodiline Calcium channel 47 4
  1. Abbreviations: TT Therapeutic target, H Histamine, D Dopamine receptor, M Muscarinic acetylcholine receptor.