Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3565275 | 1.00 | GSK3B (0.39) | GSK3BCYP2D6CYP1A2CYP3A4ADRA2A | |
| SCHEMBL3565826 | 0.87 | GSK3B (0.46) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3565828 | 0.87 | GSK3B (0.46) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3568702 | 0.84 | CYP3A4 (0.40) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3567737 | 0.83 | GSK3B (0.40) | GSK3BCYP2D6CYP1A2CYP3A4 | |
| SCHEMBL3564705 | 0.82 | GSK3B (0.42) | GSK3BCYP2D6 | |
| SCHEMBL3569777 | 0.82 | GSK3B (0.42) | GSK3BCYP2D6 | |
| SCHEMBL3564702 | 0.82 | GSK3B (0.42) | GSK3BCYP2D6 | |
| SCHEMBL3572506 | 0.82 | GSK3B (0.38) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3572508 | 0.82 | GSK3B (0.38) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7781440-B2 | Use of substituted 2-pyrimidinyl-6,7,8,9-tetrahydropyrimido[1,2-a] pyrimidin-4-one and 7-pyrimidinyl-2,3-dihydroimidazo[1,2-a] pyrimidin-5(1H)one derivatives | SANOFI-AVENTIS (FR) | 2010-08-24 | — | — | US | claimed |