Predicted Drug-Target interactions for nr dataset

Top-50 predictions

13 out of top-50 predictions were validated. In total, 27 validated new DTIs are known for nr dataset.

RankDrugTargetScoreValidatedKEGGDrugBankMatador
1 D00182 ( Norethindrone ) hsa2099 ( estrogen receptor 1 ) 0.817781 0 0 0 0
2 D00951 ( Medroxyprogesterone acetate ) hsa2099 ( estrogen receptor 1 ) 0.813644 1 0 1 0
3 D01115 ( Eplerenone ) hsa367 ( androgen receptor ) 0.809348 0 0 0 0
4 D00088 ( Hydrocortisone ) hsa367 ( androgen receptor ) 0.808296 0 0 0 0
5 D00348 ( Isotretinoin ) hsa6258 ( retinoid X receptor gamma ) 0.807712 0 0 0 0
6 D00690 ( Mometasone furoate ) hsa367 ( androgen receptor ) 0.801709 0 0 0 0
7 D00348 ( Isotretinoin ) hsa5915 ( retinoic acid receptor beta ) 0.798388 1 1 0 0
8 D01217 ( Dydrogesterone ) hsa2099 ( estrogen receptor 1 ) 0.794351 0 0 0 0
9 D01115 ( Eplerenone ) hsa5241 ( progesterone receptor ) 0.79332 0 0 0 0
10 D00279 ( Clofibrate ) hsa5468 ( peroxisome proliferator activated receptor gamma ) 0.793215 0 0 0 0
11 D01387 ( Amcinonide ) hsa367 ( androgen receptor ) 0.792361 0 0 0 0
12 D00506 ( Phenobarbital ) hsa8856 ( nuclear receptor subfamily 1 group I member 2 ) 0.791259 1 0 0 1
13 D00690 ( Mometasone furoate ) hsa2908 ( nuclear receptor subfamily 3 group C member 1 ) 0.785763 1 1 1 0
14 D00443 ( Spironolactone ) hsa367 ( androgen receptor ) 0.785396 1 0 1 0
15 D00088 ( Hydrocortisone ) hsa5241 ( progesterone receptor ) 0.784484 0 0 0 0
16 D00246 ( Budesonide ) hsa367 ( androgen receptor ) 0.783257 0 0 0 0
17 D00163 ( Chenodiol ) hsa7421 ( vitamin D receptor ) 0.783013 0 0 0 0
18 D00312 ( Estrone sodium sulfate ) hsa2100 ( estrogen receptor 2 ) 0.780573 1 1 0 0
19 D01689 ( Loteprednol etabonate ) hsa367 ( androgen receptor ) 0.78044 0 0 0 0
20 D00246 ( Budesonide ) hsa5241 ( progesterone receptor ) 0.7793 0 0 0 0
21 D00443 ( Spironolactone ) hsa5241 ( progesterone receptor ) 0.778247 1 0 1 0
22 D00554 ( Ethinyl estradiol ) hsa2100 ( estrogen receptor 2 ) 0.774617 1 1 0 0
23 D00506 ( Phenobarbital ) hsa7421 ( vitamin D receptor ) 0.774604 0 0 0 0
24 D01387 ( Amcinonide ) hsa5241 ( progesterone receptor ) 0.773517 0 0 0 0
25 D00565 ( Fenofibrate ) hsa5468 ( peroxisome proliferator activated receptor gamma ) 0.771241 0 0 0 0
26 D00075 ( Testosterone ) hsa5241 ( progesterone receptor ) 0.770684 0 0 0 0
27 D00962 ( Clomiphene citrate ) hsa2100 ( estrogen receptor 2 ) 0.769531 1 1 0 0
28 D00898 ( Dienestrol ) hsa2100 ( estrogen receptor 2 ) 0.768941 1 1 0 0
29 D00182 ( Norethindrone ) hsa367 ( androgen receptor ) 0.768502 0 0 0 0
30 D00067 ( Estrone ) hsa2100 ( estrogen receptor 2 ) 0.768082 1 1 0 0
31 D00951 ( Medroxyprogesterone acetate ) hsa367 ( androgen receptor ) 0.767528 0 0 0 0
32 D01217 ( Dydrogesterone ) hsa367 ( androgen receptor ) 0.767447 0 0 0 0
33 D01689 ( Loteprednol etabonate ) hsa5241 ( progesterone receptor ) 0.764414 0 0 0 0
34 D01115 ( Eplerenone ) hsa2908 ( nuclear receptor subfamily 3 group C member 1 ) 0.759056 0 0 0 0
35 D00348 ( Isotretinoin ) hsa5916 ( retinoic acid receptor gamma ) 0.757843 1 1 0 0
36 D00930 ( Paricalcitol ) hsa8856 ( nuclear receptor subfamily 1 group I member 2 ) 0.757811 0 0 0 0
37 D00627 ( Telmisartan ) hsa5465 ( peroxisome proliferator activated receptor alpha ) 0.756587 0 0 0 0
38 D00188 ( Cholecalciferol ) hsa8856 ( nuclear receptor subfamily 1 group I member 2 ) 0.754756 0 0 0 0
39 D00690 ( Mometasone furoate ) hsa2099 ( estrogen receptor 1 ) 0.748015 0 0 0 0
40 D00730 ( Butamben ) hsa7421 ( vitamin D receptor ) 0.747451 0 0 0 0
41 D00327 ( Fluoxymesterone ) hsa5241 ( progesterone receptor ) 0.746177 0 0 0 0
42 D00187 ( Ergocalciferol ) hsa8856 ( nuclear receptor subfamily 1 group I member 2 ) 0.743099 0 0 0 0
43 D00950 ( Levonorgestrel ) hsa367 ( androgen receptor ) 0.742766 1 0 1 0
44 D00299 ( Dihydrotachysterol ) hsa8856 ( nuclear receptor subfamily 1 group I member 2 ) 0.7424 0 0 0 0
45 D05341 ( Palmitic acid ) hsa2099 ( estrogen receptor 1 ) 0.740663 0 0 0 0
46 D00596 ( Rosiglitazone maleate ) hsa5465 ( peroxisome proliferator activated receptor alpha ) 0.740267 0 0 0 0
47 D00129 ( Calcitriol ) hsa8856 ( nuclear receptor subfamily 1 group I member 2 ) 0.738637 0 0 0 0
48 D00954 ( Norgestrel ) hsa367 ( androgen receptor ) 0.731979 0 0 0 0
49 D00316 ( Etretinate ) hsa6096 ( RAR related orphan receptor B ) 0.728371 0 0 0 0
50 D00956 ( Nandrolone phenpropionate ) hsa5241 ( progesterone receptor ) 0.728253 0 0 0 0