Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 20/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3820830 | 0.89 | GSK3B (0.49) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL1129658 | 0.86 | GSK3B (0.56) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL1129500 | 0.84 | GSK3B (0.54) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL1129653 | 0.79 | GSK3B (0.67) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL1129897 | 0.77 | GSK3B (0.59) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL1129524 | 0.76 | GSK3B (0.69) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL1129536 | 0.76 | GSK3B (0.69) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL1129935 | 0.76 | GSK3B (0.69) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL1129710 | 0.76 | GSK3B (0.67) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL698216 | 0.76 | GSK3B (0.82) | GSK3BCYP2D6CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2033963-B1 | Substituted 2-(diaza-bicyclo-alkyl)-pyrimidone derivatives | SANOFI AVENTIS (FR) | 2011-02-16 | — | — | EP | claimed |
| EP-1603910-B1 | SUBSTITUTED 2-(DIAZA-BICYCLO-ALKYL)-PYRIMIDONE DERIVATIVES | SANOFI AVENTIS (FR) | 2009-08-26 | — | — | EP | claimed |