Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 4/20 | 0.65 |
| ▸ | SRD5A1 | P18405 | 3/20 | 0.65 |
| ▸ | AR | P10275 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.55 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.55 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | HSD3B1 | P14060 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL9562169 | 1.00 | SRD5A2 (0.65) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL4019993 | 0.91 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL5699698 | 0.91 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL5699657 | 0.91 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL26155447 | 0.91 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL14506163 | 0.91 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL4019990 | 0.91 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL10485635 | 0.88 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL10485645 | 0.88 | SRD5A2 (0.68) | SRD5A2SRD5A1ARLMNACYP3A4 | |
| SCHEMBL14626956 | 0.87 | SRD5A2 (0.72) | SRD5A2SRD5A1AR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5187278-A | Trialkylsilyl trifluoromethanesulfonate mediated α-methylenic carbon functionalization of 4-aza-5α-androstan-3-one steroids | MERCK & CO., INC. (US) | 1993-02-16 | — | — | US | disclosed |
| EP-0473226-A2 | Trialkysilyl trifluoromethanesulfonate mediated functionalization of 4-aza-5alpha-androstan-3-one steroids | MERCK & CO. INC. (US) | 1992-03-04 | — | — | EP | disclosed |
| US-5091534-A | Trialkylsilyl trifluoromethanesulfonate mediated α-methylenic carbon functionalization of 4-AZA-5α-androstan-3-one steroids | MERCK & CO., INC. (US) | 1992-02-25 | — | — | US | disclosed |