Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 9/20 | 0.53 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8904714 | 0.93 | SRD5A2 (0.54) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL8903671 | 0.93 | SRD5A2 (0.54) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL9458401 | 0.88 | SRD5A2 (0.50) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL9458059 | 0.88 | SRD5A2 (0.50) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL8994156 | 0.87 | SRD5A2 (0.56) | SRD5A2SRD5A1 | |
| SCHEMBL9457944 | 0.87 | SRD5A2 (0.53) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL8994119 | 0.87 | SRD5A2 (0.49) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL8994167 | 0.87 | SRD5A2 (0.61) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL8994154 | 0.87 | SRD5A2 (0.53) | SRD5A2SRD5A1ESR1ARESR2 | |
| SCHEMBL8994117 | 0.87 | SRD5A2 (0.55) | SRD5A2SRD5A1ESR1ARESR2 |
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-5196411-A | 17β-acyl-3-carboxy-androsta-3,5-dienes as testosterone 5α-reductase inhibitors | MERCK & CO., INC. (US) | 1993-03-23 | — | — | US | disclosed |
| EP-0528485-A1 | 17Beta-acyl-3-androsta-3,5-dienes as testosterone 5alpha-reductase inhibitors | MERCK & CO. INC. (US) | 1993-02-24 | — | — | EP | disclosed |
| EP-0465123-A2 | New intermediates in the synthesis of 17beta-acyl-3-carboxy-androsta-3,5-dienes | MERCK & CO. INC. (US) | 1992-01-08 | — | — | EP | disclosed |
| US-5075450-A | Intermediates in the synthesis of 17β-acyl-3-carboxy-androsta-3,5-dienes | MERCK & CO., INC. (US) | 1991-12-24 | — | — | US | disclosed |