Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 19/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4385219 | 0.90 | MEN1 (0.43) | GSK3BMEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL3654678 | 0.90 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3662859 | 0.90 | GSK3B (0.45) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL4378646 | 0.89 | MEN1 (0.46) | GSK3BMEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL4377879 | 0.88 | MEN1 (0.45) | GSK3BMEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL3663726 | 0.88 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3661764 | 0.87 | GSK3B (0.45) | GSK3BMEN1KMT2ACYP2D6CYP1A2 | |
| SCHEMBL3664336 | 0.85 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3661728 | 0.84 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3666453 | 0.84 | GSK3B (0.47) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2238140-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | Sanofi-Aventis (FR) | 2010-10-13 | — | — | EP | disclosed |
| WO-2009095792-A2 | SUBSTITUTED HETEROARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |