Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.34 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11871982 | 0.83 | CYP3A4 (0.49) | CYP2C19CYP17A1CYP3A4MAPK1MEN1 | |
| SCHEMBL11873307 | 0.78 | SRD5A2 (0.45) | CYP2C19CYP17A1CYP3A4MAPK1MEN1 | |
| SCHEMBL11873295 | 0.78 | SRD5A2 (0.45) | CYP2C19CYP17A1CYP3A4MAPK1MEN1 | |
| SCHEMBL11871835 | 0.77 | CYP19A1 (0.41) | CYP2C19CYP17A1CYP3A4MAPK1MEN1 | |
| SCHEMBL11877143 | 0.74 | CYP17A1 (0.53) | CYP2C19CYP17A1CYP3A4MEN1LMNA | |
| SCHEMBL11874700 | 0.69 | CYP3A4 (0.64) | CYP2C19CYP17A1CYP3A4MAPK1MEN1 | |
| SCHEMBL11874693 | 0.69 | CYP3A4 (0.64) | CYP2C19CYP17A1CYP3A4MAPK1MEN1 | |
| SCHEMBL11878022 | 0.69 | CYP3A4 (0.62) | CYP2C19CYP17A1CYP3A4MAPK1MEN1 | |
| SCHEMBL11871921 | 0.69 | CYP3A4 (0.47) | CYP2C19CYP17A1CYP3A4LMNACYP19A1 | |
| SCHEMBL11871612 | 0.69 | CYP3A4 (0.47) | CYP2C19CYP17A1CYP3A4LMNACYP19A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3966713-A | 11β-FLUOROANDROSTENES | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | claimed |
| US-3966713-A | 11β-FLUOROANDROSTENES | SCHERING AKTIENGESELLSCHAFT (DT) | 1976-06-29 | — | — | US | disclosed |