Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 13/20 | 0.65 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.57 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.51 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | SERPINA6 | P08185 | 1/20 | 0.46 |
| ▸ | AR | P10275 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5086100 | 1.00 | CYP19A1 (0.65) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL3130653 | 0.91 | CYP17A1 (0.69) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL27648561 | 0.91 | CYP17A1 (0.69) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL9622954 | 0.86 | CYP19A1 (0.68) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL27311396 | 0.86 | CYP19A1 (0.68) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL9622951 | 0.86 | CYP19A1 (0.68) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL5493314 | 0.82 | CYP19A1 (0.73) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL514562 | 0.81 | CYP19A1 (0.64) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL4448213 | 0.80 | CYP19A1 (0.74) | CYP19A1CYP17A1CYP1B1ESR1SHBG | |
| SCHEMBL5479309 | 0.80 | CYP19A1 (0.74) | CYP19A1CYP17A1CYP1B1ESR1SHBG |
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 |
|---|---|---|---|---|---|---|---|
| EP-1162977-B1 | (ANDROST-5-EN-17BETA-YL)ALKYL SULFOXIDES AND SULFONES AND THEIR USE FOR THE CONTROL OF FERTILITY | ORGANON NV (NL) | 2008-04-23 | — | — | EP | claimed |
| US-6552011-B1 | Administering androst-5-en-17 beta -yl)alkyl sulfoxide, a sulfone, a prodrug or a salt thereof to animal for inhibiting meosis | AKZO NOBEL NV (NL) | 2003-04-22 | — | — | US | claimed |
| WO-2000051618-A1 | (ANDROST-5-EN-17β-YL)ALKYL SULFOXIDES AND SULFONES AND THEIR USE FOR CONTROL OF FERTILITY | AKZO NOBEL N.V. (NL) | 2000-09-08 | — | — | WO | disclosed |