Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 20/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5558714 | 0.91 | GSK3B (0.37) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL5563111 | 0.90 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL5559366 | 0.88 | GSK3B (0.41) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL5554750 | 0.87 | GSK3B (0.40) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL4418104 | 0.84 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL5554252 | 0.83 | GSK3B (0.43) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL4552623 | 0.83 | GSK3B (0.43) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL5554665 | 0.81 | GSK3B (0.48) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3366553 | 0.81 | GSK3B (0.45) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL3367128 | 0.81 | GSK3B (0.45) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1557417-B1 | Substituted 8'-pyri(mi)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a] pyrimidin-6-one derivatives | SANOFI AVENTIS (FR) | 2007-03-07 | — | — | EP | claimed |