Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 4/20 | 0.43 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 4/20 | 0.34 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | STS | P08842 | 1/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.30 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.30 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9546874 | 0.71 | AR (0.34) | CYP19A1SRD5A2SHBG | |
| SCHEMBL27248784 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL9541973 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL27607786 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL19877200 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL24151978 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL4572602 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL1962644 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL1651202 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 | |
| SCHEMBL1427282 | 0.68 | AKR1B10 (0.65) | CYP19A1MBOAT4CDK5CDK5R1NR1I3 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5710275-A | ENZYME AND HORMONE INHIBITORS | MERCK & CO., INC. (US) | 1998-01-20 | — | — | 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 |