Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A1 | P18405 | 9/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 5/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8023100 | 0.84 | SRD5A1 (0.57) | SRD5A1SRD5A2 | |
| SCHEMBL8016713 | 0.75 | SRD5A2 (0.52) | SRD5A1SRD5A2AR | |
| SCHEMBL8019181 | 0.75 | SRD5A1 (0.52) | SRD5A1SRD5A2 | |
| SCHEMBL8023777 | 0.75 | SRD5A1 (0.58) | SRD5A1SRD5A2 | |
| SCHEMBL8023995 | 0.75 | SRD5A1 (0.53) | SRD5A1SRD5A2 | |
| SCHEMBL8019178 | 0.74 | SRD5A1 (0.45) | SRD5A1SRD5A2AR | |
| SCHEMBL4115261 | 0.74 | SHBG (0.55) | ARALDH1A1CYP3A4MAPT | |
| SCHEMBL13855720 | 0.74 | SHBG (0.55) | ARALDH1A1CYP3A4MAPT | |
| SCHEMBL4115264 | 0.74 | SHBG (0.55) | ARALDH1A1CYP3A4MAPT | |
| SCHEMBL11317419 | 0.73 | SHBG (0.37) | ARKCNH2ALDH1A1CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0664812-B1 | 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES | MERCK & CO INC (US) | 2000-01-05 | — | — | EP | disclosed |
| EP-0664812-A4 | 17 -g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5-g(a)-ANDROSTANE-3-ONES. | MERCK & CO INC (US) | 1995-10-25 | — | — | EP | disclosed |
| EP-0664812-A1 | 17 $g(b)-ARYL ESTER CARBOXYLATES OF 4-AZA-5$g(a)-ANDROSTANE-3-ONES | MERCK & CO. INC. (US) | 1995-08-02 | — | — | EP | disclosed |
| WO-1994007860-A1 | 17 β-ARYL ESTER CARBOXYLATES OF 4-AZA-5α-ANDROSTANE-3-ONES | MERCK & CO., INC. (US) | 1994-04-14 | — | — | WO | disclosed |
| US-5278159-A | Steroid enzyme inhibitor | MERCK & CO., INC. (US) | 1994-01-11 | — | — | US | disclosed |