Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | EPAS1 | Q99814 | 14/20 | 0.42 |
| ▸ | VEGFA | P15692 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL14570721 | 0.93 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19EPAS1 | |
| SCHEMBL5373746 | 0.90 | KCNH2 (0.42) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL14559716 | 0.89 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL5365366 | 0.88 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL14559745 | 0.88 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL5365473 | 0.88 | CYP3A4 (0.63) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL5386025 | 0.88 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL5370838 | 0.86 | CYP3A4 (0.45) | CYP3A4CYP2C9CYP2C19EPAS1VEGFA | |
| SCHEMBL5375295 | 0.86 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19EPAS1 | |
| SCHEMBL5365245 | 0.83 | CYP3A4 (0.49) | CYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |
| US-7189718-B2 | Non-nucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2007-03-13 | — | — | US | disclosed |