Table 2 Most enriched protein targets in the top results.

From: Transcriptional drug repositioning and cheminformatics approach for differentiation therapy of leukaemia cells

Target ID

Target name

Gene symbol

Count in top 50 predicted compounds

Count in all CMap compounds

Probability

Average position of the target

Average rank

P value

CHEMBL1906

Serine/threonine-protein kinase RAF

RAF1

4

61

0.066

4.5

10.5

0.00165

CHEMBL4308

Bradykinin B1 receptor

BDKRB1

4

62

0.065

5.3

21.3

0.00175

CHEMBL4081

Coagulation factor III

F3

5

116

0.043

2.6

11.2

0.00267

CHEMBL210

Beta-2 adrenergic receptor

ADRB2

7

279

0.025

1.4

26.3

0.00716

CHEMBL213

Beta-1 adrenergic receptor

ADRB1

7

283

0.025

3.0

26.3

0.00768

CHEMBL1941

Histamine H2 receptor

HRH2

4

97

0.041

5.5

31.0

0.00819

CHEMBL246

Beta-3 adrenergic receptor

ADRB3

7

337

0.021

2.7

26.3

0.01720

CHEMBL2056

Dopamine D1 receptor

DRD1

7

369

0.019

2.6

27.6

0.02529

CHEMBL234

Dopamine D3 receptor

DRD3

6

296

0.020

5.0

31.2

0.02833

CHEMBL1821

Muscarinic acetylcholine receptor M4

CHRM4

5

220

0.023

5.6

27.2

0.02944

CHEMBL2035

Muscarinic acetylcholine receptor M5

CHRM5

4

194

0.021

4.3

29.5

0.06092

CHEMBL217

Dopamine D2 receptor

DRD2

6

416

0.014

3.0

30.8

0.08312

CHEMBL231

Histamine H1 receptor

HRH1

6

450

0.013

1.3

33.3

0.10076

  1. Frequency of all predicted protein targets were counted in the top 50 results compared to all compounds in the Connectivity map database. Probability of observing each protein target (count in top 50/count in all compounds) is displayed as Probability. P value displays significance of observing each target in the top results compared to all the compound signatures extracted from CMap (5,764 signatures). Average position of the target denotes average rank of the protein target for the top 50 compounds using in silico target prediction.
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