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Table 13 Top 10 predicted novel interactions in the IC dataset performed by DTIOG-BaggingClassifier, with supporting evidence from external databases

From: Advancing drug–target interaction prediction: a comprehensive graph-based approach integrating knowledge graph embedding and ProtBert pretraining

Rank

Drugbank ID

Drug name

Uniprot ID

Target name

Evidence

1

DB00653

Magnesium sulfate

Q01668

Voltage-dependent L-type calcium channel subunit alpha-1D

DrugBank

2

DB00349

Clobazam

P47870

Gamma-aminobutyric acid receptor subunit beta-2

DrugBank, KEGG

3

DB00818

Propofol

O75311

Glycine receptor subunit alpha-3

KEGG

4

DB01122

Ambenonium

P46098

5-hydroxytryptamine receptor 3A

None

5

DB01239

Chlorprothixene

Q92952

Small conductance calcium-activated potassium channel protein 1

None

6

DB00312

Pentobarbital

Q15878

Voltage-dependent R-type calcium channel subunit alpha-1E

None

7

DB00829

Diazepam

O75311

Glycine receptor subunit alpha-3

KEGG

8

DB00653

Magnesium sulfate

Q00975

Voltage-dependent N-type calcium channel subunit alpha-1B

None

9

DB00740

Riluzole

Q13002

Glutamate receptor ionotropic, kainate 2

KEGG

10

DB00949

Felbamate

O75311

Glycine receptor subunit alpha-3

KEGG