Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 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 | |
|---|---|---|---|---|
| SCHEMBL16133737 | 0.95 | CYP3A4 (0.37) | CYP3A4CYP2C8KCNH2CNR1CNR2 | |
| SCHEMBL18809192 | 0.92 | CYP3A4 (0.37) | CYP3A4CYP2C8KCNH2CNR1CNR2 | |
| SCHEMBL17466567 | 0.91 | CYP3A4 (0.38) | CYP3A4CYP2C8KCNH2 | |
| SCHEMBL18809718 | 0.87 | CYP3A4 (0.36) | CYP3A4CYP2C8KCNH2 | |
| SCHEMBL16114410 | 0.86 | CYP3A4 (0.39) | CYP3A4CYP2C8KCNH2CNR1CNR2 | |
| SCHEMBL16113269 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP2C8 | |
| SCHEMBL16133788 | 0.85 | CYP3A4 (0.41) | CYP3A4CYP2C8KCNH2CNR1CNR2 | |
| SCHEMBL17466585 | 0.85 | CYP3A4 (0.38) | CYP3A4CYP2C8KCNH2CNR1CNR2 | |
| SCHEMBL17466568 | 0.82 | CYP3A4 (0.39) | CYP3A4CYP2C8KCNH2 | |
| SCHEMBL16133784 | 0.82 | CYP2C8 (0.41) | CYP3A4CYP2C8KCNH2NR1I2 |
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 |