Skip to main content

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.