Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | VEGFA | P15692 | 1/20 | 0.30 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4662860 | 1.00 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19KCNH2VEGFA | |
| SCHEMBL4379310 | 0.91 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19KCNH2VEGFA | |
| SCHEMBL13581455 | 0.91 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19KCNH2VEGFA | |
| SCHEMBL4371404 | 0.91 | CYP3A4 (0.72) | CYP3A4CYP2C9CYP2C19KCNH2VEGFA | |
| SCHEMBL13586650 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19KCNH2VEGFA | |
| SCHEMBL14546142 | 0.90 | CYP3A4 (0.60) | CYP3A4CYP2C9CYP2C19KCNH2VEGFA | |
| SCHEMBL4379876 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19VEGFAEPAS1 | |
| SCHEMBL4379873 | 0.88 | CYP3A4 (0.49) | CYP3A4CYP2C9CYP2C19VEGFAEPAS1 | |
| SCHEMBL14547411 | 0.87 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2 | |
| SCHEMBL4374824 | 0.87 | CYP3A4 (0.65) | CYP3A4CYP2C9CYP2C19KCNH2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1937651-B1 | NNRT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-12-24 | — | — | EP | claimed |
| EP-1937651-A1 | NNRT INHIBITORS | F.HOFFMANN-LA ROCHE AG (CH) | 2008-07-02 | — | — | EP | claimed |
| WO-2007039463-A1 | NNRT INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2007-04-12 | — | — | WO | claimed |
| EP-1937651-B1 | NNRT INHIBITORS | HOFFMANN LA ROCHE (CH) | 2008-12-24 | — | — | EP | disclosed |