Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12333040 | 1.00 | CYP2C9 (0.55) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL1914105 | 1.00 | CYP2C9 (0.55) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL14655351 | 0.91 | CYP2C9 (0.46) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL14841664 | 0.91 | CYP2C9 (0.46) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL14655274 | 0.91 | CYP2C9 (0.46) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL12509506 | 0.90 | CYP2C9 (0.60) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL15045762 | 0.89 | CYP2C9 (0.55) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL12423487 | 0.89 | CYP2C9 (0.58) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL15984499 | 0.89 | CYP2C9 (0.55) | CYP2C9KCNH2CYP3A4 | |
| SCHEMBL15048011 | 0.88 | CYP2C9 (0.45) | CYP2C9KCNH2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011119853-A1 | ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-09-29 | — | — | WO | disclosed |