Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 6/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | DAO | P14920 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5047667 | 0.79 | HSD11B1 (0.52) | NPC1RAB9AHSD11B1CYP3A4ALDH1A1 | |
| SCHEMBL5056758 | 0.70 | RAB9A (0.62) | NPC1RAB9ACYP3A4ALDH1A1KMT2A | |
| SCHEMBL6092587 | 0.67 | ALDH1A1 (0.51) | NPC1RAB9AHSD11B1CYP3A4ALDH1A1 | |
| SCHEMBL16884365 | 0.66 | ALDH1A1 (0.50) | HSD11B1ALDH1A1KMT2AKDM4E | |
| SCHEMBL723439 | 0.66 | — | — | |
| SCHEMBL40512 | 0.65 | ALDH1A1 (0.42) | HSD11B1ALDH1A1SMN1; SMN2 | |
| SCHEMBL1837477 | 0.64 | HSD11B1 (0.44) | HSD11B1CYP3A4ALDH1A1KMT2AKDM4E | |
| SCHEMBL27645125 | 0.64 | — | — | |
| SCHEMBL8040426 | 0.64 | — | — | |
| SCHEMBL6092588 | 0.64 | HCAR2 (0.53) | RAB9AHSD11B1CYP3A4ALDH1A1KMT2A |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641208-B1 | 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO INC (US) | 2000-08-02 | — | — | EP | claimed |
| US-5620986-A | TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS | MERCK & CO., INC. (US) | 1997-04-15 | — | — | US | claimed |
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| EP-0649431-B1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5-ALPHA-REDUCTASE INHIBITORS | MERCK & CO INC (US) | 1999-08-11 | — | — | EP | disclosed |
| US-5639741-A | STEROIDS TREATING SKIN DISORDERS | MERCK & CO., INC. (US) | 1997-06-17 | — | — | US | disclosed |
| US-5620986-A | TREATS BENIGN PROSTATIC HYPERTROPHY, SEBORRHEA, FEMALE HIRSUTISM, AND MALE AND FEMALE PATTEN BALDNESS | MERCK & CO., INC. (US) | 1997-04-15 | — | — | US | disclosed |
| EP-0649431-A4 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5-G(A)-REDUCTASE INHIBITORS. | — | 1995-05-03 | — | — | EP | disclosed |
| EP-0649431-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5$g(a)-REDUCTASE INHIBITORS | MERCK & CO. INC. (US) | 1995-04-26 | — | — | EP | disclosed |
| WO-1993023038-A1 | 17-AMINO SUBSTITUTED 4-AZASTEROID 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |