Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 10/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 13/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5678315 | 0.89 | CYP3A4 (0.47) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4024841 | 0.87 | CYP17A1 (0.64) | CYP17A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7537711 | 0.87 | CYP17A1 (0.64) | CYP17A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL7823897 | 0.84 | CYP3A4 (0.43) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5689213 | 0.80 | CYP17A1 (0.48) | CYP17A1CYP3A4IDO1TDO2ALDH1A1 | |
| SCHEMBL5752861 | 0.79 | CYP3A4 (0.47) | CYP17A1CYP3A4CYP2C9CYP2C19TDO2 | |
| SCHEMBL4027111 | 0.79 | CYP17A1 (0.46) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5755159 | 0.79 | CYP3A4 (0.45) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5753817 | 0.79 | CYP3A4 (0.45) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5753408 | 0.79 | CYP3A4 (0.47) | CYP17A1CYP3A4CYP2C9CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1227085-B1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE DERIVATIVE AND OPTICAL RESOLVER THEREFOR | TAKEDA PHARMACEUTICAL (JP) | 2006-03-15 | — | — | EP | disclosed |