Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 17/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 16/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4025856 | 0.82 | CYP17A1 (0.64) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5752821 | 0.80 | CYP17A1 (0.62) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5750907 | 0.79 | CYP3A4 (0.44) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5753882 | 0.79 | CYP3A4 (0.44) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4027619 | 0.79 | CYP3A4 (0.51) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5750604 | 0.79 | CYP17A1 (0.50) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5752256 | 0.78 | CYP3A4 (0.44) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5751835 | 0.78 | CYP3A4 (0.44) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5754667 | 0.78 | CYP17A1 (0.51) | CYP17A1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5753350 | 0.78 | CYP3A4 (0.53) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1073640-A1 | NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054309-A1 | NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-28 | — | — | WO | disclosed |