Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I3 | Q14994 | 1/20 | 0.47 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7741693 | 0.82 | CDK5 (0.42) | NR1I3CDK5CDK5R1GRIN1GRIN2B | |
| SCHEMBL7527164 | 0.81 | SRD5A1 (0.58) | — | |
| SCHEMBL7802581 | 0.81 | SRD5A1 (0.58) | — | |
| SCHEMBL7711773 | 0.80 | GRIN1 (0.40) | NR1I3CDK5CDK5R1GRIN1GRIN2B | |
| SCHEMBL5596630 | 0.80 | SRD5A1 (0.52) | — | |
| SCHEMBL1552900 | 0.80 | SRD5A1 (0.52) | — | |
| SCHEMBL4729969 | 0.80 | SRD5A1 (0.52) | — | |
| SCHEMBL8007078 | 0.77 | CDK5 (0.38) | NR1I3CDK5CDK5R1GRIN1GRIN2B | |
| SCHEMBL8158079 | 0.77 | SRD5A1 (0.42) | NR1I3CDK5CDK5R1GRIN1GRIN2B | |
| SCHEMBL8019107 | 0.77 | CDK5 (0.37) | NR1I3CDK5CDK5R1GRIN1GRIN2B |
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 7 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 | 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 |
| 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 |