Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 5/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16133705 | 0.94 | CYP3A4 (0.42) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL17466518 | 0.89 | CYP3A4 (0.43) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL18809546 | 0.89 | CYP3A4 (0.48) | CYP3A4CYP2C8KCNH2NR1I2 | |
| SCHEMBL19385760 | 0.87 | CYP3A4 (0.41) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL16133787 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL18809621 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL17453376 | 0.85 | CYP3A4 (0.42) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL16133745 | 0.85 | CYP3A4 (0.44) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL16133773 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 | |
| SCHEMBL16133756 | 0.84 | CYP3A4 (0.42) | CYP3A4CYP2C8KCNH2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970174-B1 | FUSED FURANS FOR THE TREATMENT OF HEPATITIS C | BRISTOL MYERS SQUIBB CO (US) | 2017-05-03 | — | — | EP | disclosed |