Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 5/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.37 |
| ▸ | PGR | P06401 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL8065395 | 1.00 | SRD5A1 (0.60) | SRD5A1CYP2C19CYP19A1SRD5A2CYP17A1 | |
| SCHEMBL7611466 | 0.87 | SRD5A1 (0.63) | SRD5A1CYP2C19CYP19A1SRD5A2CYP17A1 | |
| SCHEMBL7611459 | 0.87 | SRD5A1 (0.63) | SRD5A1CYP2C19CYP19A1SRD5A2CYP17A1 | |
| SCHEMBL8075542 | 0.83 | SRD5A1 (0.57) | SRD5A1CYP2C19CYP19A1SRD5A2LMNA | |
| SCHEMBL8075540 | 0.83 | SRD5A1 (0.57) | SRD5A1CYP2C19CYP19A1SRD5A2LMNA | |
| SCHEMBL7609968 | 0.83 | SRD5A1 (0.63) | SRD5A1CYP2C19CYP19A1SRD5A2CYP17A1 | |
| SCHEMBL7609974 | 0.83 | SRD5A1 (0.63) | SRD5A1CYP2C19CYP19A1SRD5A2CYP17A1 | |
| SCHEMBL7619280 | 0.81 | SRD5A1 (0.61) | SRD5A1CYP2C19CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL7619286 | 0.81 | SRD5A1 (0.61) | SRD5A1CYP2C19CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL7613573 | 0.78 | SRD5A1 (0.67) | SRD5A1CYP19A1CYP3A4LMNANR3C1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641204-B1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO INC (US) | 2000-08-16 | — | — | EP | claimed |
| WO-1998009632-A1 | METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR | MERCK & CO., INC. (US) | 1998-03-12 | — | — | WO | claimed |
| US-5536727-A | TREATMENT OF HYPERANDROGENIC DISEASES | MERCK & CO., INC. (US) | 1996-07-16 | — | — | US | claimed |
| EP-0641204-A4 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. | MERCK & CO INC (US) | 1995-08-23 | — | — | EP | claimed |
| EP-0641204-A1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | EP | claimed |
| WO-1993023040-A1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | claimed |
| EP-0641204-B1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO INC (US) | 2000-08-16 | — | — | EP | disclosed |
| US-5872126-A | ENZYME INHIBITORS FOR TREATMENT OF PREMATURE LABOR | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1998009632-A1 | METHODS AND COMPOSITIONS FOR TREATING PRETERM LABOR | MERCK & CO., INC. (US) | 1998-03-12 | — | — | WO | disclosed |
| US-5710275-A | ENZYME AND HORMONE INHIBITORS | MERCK & CO., INC. (US) | 1998-01-20 | — | — | US | disclosed |
| US-5693809-A | PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER | MERCK & CO., INC. (US) | 1997-12-02 | — | — | US | disclosed |
| EP-0778284-A2 | New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1997-06-11 | — | — | EP | disclosed |
| US-5536727-A | TREATMENT OF HYPERANDROGENIC DISEASES | MERCK & CO., INC. (US) | 1996-07-16 | — | — | US | disclosed |
| EP-0641204-A4 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS. | MERCK & CO INC (US) | 1995-08-23 | — | — | EP | disclosed |
| EP-0641204-A1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO. INC. (US) | 1995-03-08 | — | — | EP | disclosed |
| EP-0572166-A1 | New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors | MERCK & CO. INC. (US) | 1993-12-01 | — | — | EP | disclosed |
| WO-1993023040-A1 | 17-ETHERS AND THIOETHERS OF 4-AZA-STEROIDS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023420-A1 | NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |
| WO-1993023039-A1 | SUBSTITUTED 4-AZA-5A-ANDROSTAN-ONES AS 5A-REDUCTASE INHIBITORS | MERCK & CO., INC. (US) | 1993-11-25 | — | — | WO | disclosed |