Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MLYCD | O95822 | 9/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | AADAC | P22760 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8407531 | 0.94 | MLYCD (0.42) | MLYCDCYP3A4MAPK1MAPTAR | |
| SCHEMBL8410305 | 0.89 | MLYCD (0.40) | MLYCDCYP3A4MAPK1MAPTAR | |
| SCHEMBL8407380 | 0.81 | AR (0.40) | MLYCDCYP3A4MAPK1MAPTAR | |
| SCHEMBL8407241 | 0.71 | AR (0.49) | MLYCDCYP3A4MAPK1MAPTAR | |
| SCHEMBL8409003 | 0.68 | AR (0.55) | CYP3A4MAPK1MAPTARTSHR | |
| SCHEMBL8410215 | 0.68 | AR (0.39) | MLYCDCYP3A4MAPK1MAPTAR | |
| SCHEMBL9708920 | 0.67 | MAPK1 (0.55) | CYP3A4MAPK1MAPTARTSHR | |
| SCHEMBL8409225 | 0.65 | AR (0.45) | CYP3A4MAPK1MAPTARTSHR | |
| SCHEMBL27891591 | 0.63 | ALDH1A1 (0.43) | CYP3A4MAPK1MAPTARTSHR | |
| SCHEMBL9708914 | 0.63 | MAPK1 (0.51) | CYP3A4MAPK1MAPTARTSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5994362-A | ADMINISTERING FINASTERIDE AND CASODEX | MERCK & CO., INC. (US) | 1999-11-30 | — | — | US | disclosed |
| EP-0514056-A2 | Use of estrogens or antiandrogens for reversal of male sexual phenotype in poultry | MERCK & CO. INC. (US) | 1992-11-19 | — | — | EP | disclosed |
| WO-1992016233-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO., INC. (US) | 1992-10-01 | — | — | WO | disclosed |