Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5376896 | 0.89 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5365393 | 0.84 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5374165 | 0.82 | CYP3A4 (0.74) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5377154 | 0.81 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5377646 | 0.80 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5364946 | 0.77 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5385352 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5377555 | 0.76 | CYP3A4 (0.54) | CYP3A4CYP2C9CYP2C19KCNH2HTR2A | |
| SCHEMBL5368936 | 0.73 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL5374302 | 0.73 | CYP3A4 (0.64) | CYP3A4CYP2C9CYP2C19KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |