Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16494697 | 0.91 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19PTGS2 | |
| SCHEMBL16494591 | 0.91 | CYP3A4 (0.38) | CYP3A4CYP2C9CYP2C19PTGS2 | |
| SCHEMBL16494437 | 0.88 | CYP2C9 (0.52) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL3398742 | 0.88 | CYP3A4 (0.51) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL16494512 | 0.87 | ESR1 (0.37) | CYP3A4CYP2C9CYP2C19PTGS2KCNH2 | |
| SCHEMBL16494105 | 0.84 | PTGS2 (0.36) | CYP3A4CYP2C9CYP2C19PTGS2 | |
| SCHEMBL16494748 | 0.84 | CYP2C9 (0.51) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL16494350 | 0.84 | PTGS2 (0.35) | CYP3A4CYP2C9CYP2C19PTGS2 | |
| SCHEMBL16494377 | 0.83 | CYP3A4 (0.39) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL16494060 | 0.83 | L3MBTL1 (0.36) | CYP3A4PTGS2 |
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-2245023-B1 | HETEROCYCLIC ANTIVIRAL COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2011-12-28 | — | — | EP | claimed |