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Table 4 Top-25 ranked novel DTIs predicted on the NR 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: NR (R=2)

 D00462

Oxandrolone

hsa4306

NR3C2 (Nuclear Receptor Subfamily 3 Group C Member 2)

None

 D00348

Isotretinoin

hsa6096

RORB (RAR Related Orphan Receptor B)

None

 D00690

Mometasone furoate

hsa2908

NR3C1 (Nuclear Receptor Subfamily 3 Group C Member 1)

KEGG & DRUGBANK

 D00075

Testosterone

hsa5241

PGR (Progesterone Receptor)

CTD

 D00088

Hydrocortisone

hsa5241

PGR (Progesterone Receptor)

None

 D00962

Clomiphene citrate

hsa2101

ESRRA (Estrogen Related Receptor Alpha)

None

 D00898

Dienestrol

hsa2101

ESRRA (Estrogen Related Receptor Alpha)

None

 D00348

Isotretinoin

hsa5915

RARB (Retinoic Acid Receptor Beta)

KEGG & CTD

 D00956

Nandrolone phenpropionate

hsa4306

NR3C2 (Nuclear Receptor Subfamily 3 Group C Member 2)

None

 D00348

Isotretinoin

hsa5916

RARG (Retinoic Acid Receptor Gamma)

KEGG & DRUGBANK & CTD

 D00443

Spironolactone

hsa2908

NR3C1 (Nuclear Receptor Subfamily 3 Group C Member 1)

DRUGBANK

 D00348

Isotretinoin

hsa6097

RORC (RAR Related Orphan Receptor C)

None

 D00956

Nandrolone phenpropionate

hsa5241

PGR (Progesterone Receptor)

None

 D00956

Nandrolone phenpropionate

hsa2908

NR3C1 (Nuclear Receptor Subfamily 3 Group C Member 1)

None

 D00962

Clomiphene citrate

hsa2104

ESRRG (Estrogen Related Receptor Gamma)

None

 D00898

Dienestrol

hsa2104

ESRRG (Estrogen Related Receptor Gamma)

None

 D00962

Clomiphene citrate

hsa2103

ESRRB (Estrogen Related Receptor Beta)

None

 D00316

Etretinate

hsa6096

RORB (RAR Related Orphan Receptor B)

None

 D00962

Clomiphene citrate

hsa2100

ESR2 (Estrogen Receptor 2)

KEGG

 D00951

Medroxyprogesterone acetate

hsa2908

NR3C1 (Nuclear Receptor Subfamily 3 Group C Member 1)

CTD

 D00898

Dienestrol

hsa2103

ESRRB (Estrogen Related Receptor Beta)

None

 D00898

Dienestrol

hsa2100

ESR2 (Estrogen Receptor 2)

KEGG

 D00075

Testosterone

hsa2908

NR3C1 (Nuclear Receptor Subfamily 3 Group C Member 1)

DTC & CTD

 D00075

Testosterone

hsa4306

NR3C2 (Nuclear Receptor Subfamily 3 Group C Member 2)

DRUGBANK & CTD

 D00327

Fluoxymesterone

hsa5241

PGR (Progesterone Receptor)

None