Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.43 |
| ▸ | CYP17A1 | P05093 | 13/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | CYP2C8 | P10632 | 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 | |
|---|---|---|---|---|
| SCHEMBL5751203 | 0.90 | CYP3A4 (0.44) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5753817 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5755159 | 0.89 | CYP3A4 (0.45) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5678315 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5752861 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5753408 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5753809 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5751531 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5751516 | 0.83 | CYP3A4 (0.47) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL5750653 | 0.82 | CYP3A4 (0.46) | CYP3A4CYP17A1CYP2C9CYP2C19CYP2C8 |
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 |