Table 2 Top-15 predicted potential drugs for CDK 4 and CDK 6

From: DTIAM: a unified framework for predicting drug-target interactions, binding affinities and drug mechanisms

Rank

KEGG ID

Drug Name

Pred_Score1

Pred_Score2

Validation

1

D01441

Imatinib mesylate

1.0000

1.0000

CTD

2

D10883

Ribociclib

0.9995

1.0000

DrugBank

3

D02880

Alvocidib hydrochloride

1.0000

1.0000

KEGG

4

D01840

Fasudil hydrochloride

0.9997

1.0000

–

5

D10688

Abemaciclib

0.9843

0.9999

DrugBank

6

D09868

Alvocidib

0.9998

0.9999

KEGG

7

D11130

Trilaciclib

0.9347

0.9995

DrugBank

8

D03350

Canertinib dihydrochloride

0.9735

0.9994

–

9

D04370

Granisetron

0.9920

0.9992

–

10

D03736

Doramapimod

0.9974

0.9986

–

11

D03218

Axitinib

0.9901

0.9986

–

12

D03115

Fasudil hydrochloride hydrate

0.9964

0.9973

–

13

D02217

Raloxifene hydrochloride

0.9971

0.9942

–

14

D10372

Palbociclib

0.5924

0.9832

DrugBank

15

D04025

Mubritinib

0.9755

0.9758

–

  1. Note: The bolded drugs are the approved CDK 4 and CDK 6 inhibitors collected from DrugBank, the others are the drugs in the Yamanishi_08’s dataset. The column of Pred_Score1 and Pred_Score2 indicate the predicted probabilities of potential drugs interacting with CDK 4 and CDK 6, respectively. The potential drugs are ranked according to Pred_Score2.
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