Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.62 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 14/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 13/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL12922294 | 0.95 | CYP1A2 (0.63) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL12899660 | 0.92 | CYP1A2 (0.68) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL15109363 | 0.90 | CYP1A2 (0.70) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL12192098 | 0.89 | CYP3A4 (0.54) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL12899632 | 0.87 | CYP1A2 (0.61) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL12192105 | 0.87 | CYP3A4 (0.54) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL13680355 | 0.86 | CYP1A2 (0.74) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL13680371 | 0.85 | CYP1A2 (0.74) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| SCHEMBL12922288 | 0.85 | CYP3A4 (0.55) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 | |
| Deleobuvir SCHEMBL900176 | 0.85 | CYP1A2 (0.76) | CYP1A2CYP2C8CYP3A4CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-8030309-B2 | Viral polymerase inhibitors | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-10-04 | — | — | US | disclosed |