Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 8/20 | 0.58 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.57 |
| ▸ | AR | P10275 | 2/20 | 0.53 |
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.46 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL370474 | 0.92 | SRD5A2 (0.62) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL7622300 | 0.92 | SRD5A2 (0.62) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL13265741 | 0.92 | SRD5A2 (0.62) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL9392669 | 0.88 | SRD5A2 (0.66) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL8903386 | 0.87 | SRD5A2 (0.56) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL8903671 | 0.85 | SRD5A2 (0.54) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL8904714 | 0.85 | SRD5A2 (0.54) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL9109420 | 0.85 | SRD5A2 (0.60) | SRD5A2SRD5A1ARESR1ESR2 | |
| SCHEMBL28502819 | 0.84 | AR (0.73) | ARESR1ESR2LMNACYP3A4 | |
| SCHEMBL10380171 | 0.83 | SRD5A2 (0.52) | SRD5A2SRD5A1ARESR1ESR2 |
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 5 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 |
| US-5091380-A | N-monosubstituted adamantyl/norbornanyl 17β-carbamides of 3-carboxy-androst-3,5-dienes as testosterone 5α-reductase inhibitors | MERCK & CO., INC. (US) | 1992-02-25 | — | — | US | 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 |