Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 8/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL798823 | 0.79 | CYP17A1 (0.52) | CYP17A1CYP3A4MAPTTDO2HRH4 | |
| SCHEMBL15465685 | 0.75 | CYP17A1 (0.52) | CYP17A1CYP3A4HRH4 | |
| SCHEMBL3782220 | 0.71 | CYP17A1 (0.52) | CYP17A1CYP3A4 | |
| SCHEMBL29412530 | 0.66 | KCNQ2 (0.47) | CYP17A1CYP3A4 | |
| SCHEMBL807981 | 0.65 | CYP17A1 (0.39) | CYP17A1CYP3A4 | |
| SCHEMBL18949756 | 0.65 | MAPT (0.54) | CYP3A4CYP1A2MAPT | |
| SCHEMBL793782 | 0.65 | CDC7 (0.40) | CYP17A1CYP3A4 | |
| SCHEMBL793474 | 0.65 | CYP11B2 (0.41) | CYP17A1CYP1A2MAPT | |
| SCHEMBL794339 | 0.65 | CYP17A1 (0.37) | CYP17A1CYP3A4CYP1A2MAPT | |
| SCHEMBL793824 | 0.63 | CYP11B2 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2627648-A1 | 17aHYDROXYLASE/C17,20-LYASE INHIBITORS | Novartis AG (CH) | 2013-08-21 | — | — | EP | disclosed |
| WO-2012035078-A1 | 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS | NOVARTIS AG (CH) | 2012-03-22 | — | — | WO | disclosed |