Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.39 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19262376 | 0.93 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL18809181 | 0.92 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL19262407 | 0.91 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL19262452 | 0.90 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL19262419 | 0.88 | CYP3A4 (0.41) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL19262410 | 0.88 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL18809541 | 0.84 | CYP3A4 (0.39) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL18809721 | 0.84 | CACNA1C (0.38) | CYP3A4CYP2C8CYP2C9CYP2C19 | |
| SCHEMBL19262514 | 0.84 | CYP3A4 (0.38) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 | |
| SCHEMBL17453376 | 0.83 | CYP3A4 (0.42) | CYP3A4CYP2C8CYP2C9CYP2C19KCNH2 |
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 |