Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 15/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MTOR | P42345 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3402376 | 0.92 | GSK3B (0.46) | GSK3BCYP2D6CYP1A2MTOR | |
| SCHEMBL3403567 | 0.91 | GSK3B (0.40) | GSK3BCYP2D6CYP1A2MTOR | |
| SCHEMBL3398624 | 0.91 | GSK3B (0.40) | GSK3BCYP2D6CYP1A2MTOR | |
| SCHEMBL3403112 | 0.90 | GSK3B (0.46) | GSK3BCYP2D6CYP1A2MTOR | |
| SCHEMBL3403465 | 0.87 | GSK3B (0.48) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3403341 | 0.85 | GSK3B (0.40) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3400870 | 0.83 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2CYP3A4MTOR | |
| SCHEMBL3402193 | 0.82 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2CYP3A4MTOR | |
| SCHEMBL926835 | 0.81 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3397058 | 0.79 | GSK3B (0.40) | GSK3BCYP2D6CYP1A2 |
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-2247599-A1 | SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-11-10 | — | — | EP | claimed |
| WO-2009095788-A1 | SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | claimed |
| EP-2247599-A1 | SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009095788-A1 | SUBSTITUTED ARYLAMIDE OXAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |