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Table 5 Top-25 ranked novel DTIs predicted on the GPCR data set by MOKPE

From: MOKPE: drug–target interaction prediction via manifold optimization based kernel preserving embedding

Drug ID

Drug name

Target ID

Target name

Validation source

Data Set: GPCR (R=2)

 D01692

Alfuzosin hydrochloride

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

None

 D00613

Fenoldopam mesylate

hsa11255

HRH3 (Histamine Receptor H3)

None

 D00613

Fenoldopam mesylate

hsa59340

HRH4 (Histamine Receptor H4)

None

 D00965

Nilutamide

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

None

 D04375

Guanabenz

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

KEGG & GtP

 D00318

Famotidine

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

None

 D00380

Tolbutamide

hsa134

ADORA1 (Adenosine A1 Receptor)

None

 D00514

Dexmedetomidine

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

KEGG & GtP

 D02327

Doxylamine succinate

hsa1131

CHRM3 (Cholinergic Receptor Muscarinic 3)

None

 D02234

Cyproheptadine hydrochloride

hsa11255

HRH3 (Histamine Receptor H3)

None

 D02327

Doxylamine succinate

hsa1133

CHRM5 (Cholinergic Receptor Muscarinic 5)

None

 D02340

Loxapine

hsa1129

CHRM2 (Cholinergic Receptor Muscarinic 2)

DRUGBANK

 D01965

Silodosin

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

None

 D01973

Eletriptan hydrobromide

hsa3356

HTR2A (5-Hydroxytryptamine Receptor 2A)

None

 D00079

Dinoprostone

hsa5731

PTGER1 (Prostaglandin E Receptor 1)

DRUGBANK & DTC & CTD & GtP

 D02357

Methysergide

hsa3360

HTR4 (5-Hydroxytryptamine Receptor 4)

None

 D02340

Loxapine

hsa1128

CHRM1 (Cholinergic Receptor Muscarinic 1)

DRUGBANK

 D02349

Dipivefrin

hsa3274

HRH2 (Histamine Receptor H2)

None

 D02327

Doxylamine succinate

hsa1132

CHRM4 (Cholinergic Receptor Muscarinic 4)

None

 D01020

Methoxamine hydrochloride

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

None

 D00437

Nifedipine

hsa3274

HRH2 (Histamine Receptor H2)

None

 D02349

Dipivefrin

hsa152

ADRA2C (Adrenoceptor Alpha 2C)

KEGG

 D02327

Doxylamine succinate

hsa1814

DRD3 (Dopamine Receptor D3)

None

 D01164

Aripiprazole

hsa1129

CHRM2 (Cholinergic Receptor Muscarinic 2)

DRUGBANK

 D01297

Pirenzepine hydrochloride

hsa1131

CHRM3 (Cholinergic Receptor Muscarinic 3)

KEGG