Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4420553 | 1.00 | GSK3B (0.39) | GSK3BCYP46A1CYP2D6 | |
| SCHEMBL5559168 | 0.87 | GSK3B (0.40) | GSK3B | |
| SCHEMBL5559165 | 0.87 | GSK3B (0.40) | GSK3B | |
| SCHEMBL4429026 | 0.87 | ALDH1A1 (0.38) | GSK3BCYP46A1 | |
| SCHEMBL4420810 | 0.85 | CYP2C9 (0.46) | GSK3BCYP2D6 | |
| SCHEMBL4421898 | 0.82 | GSK3B (0.53) | GSK3BCYP2D6 | |
| SCHEMBL4416863 | 0.81 | GSK3B (0.42) | GSK3B | |
| SCHEMBL4418095 | 0.80 | ALDH1A1 (0.39) | GSK3BCYP46A1 | |
| SCHEMBL3560210 | 0.79 | GSK3B (0.47) | GSK3BCYP2D6 | |
| SCHEMBL4428471 | 0.74 | CDC7 (0.44) | GSK3BCYP46A1 |
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-7547705-B2 | Substituted 8′-pyri(MI)dinyl-dihydrospiro-[cycloalkylamine]-pyrimido[1,2-a]pyrimidin-6-one derivatives | SANOFI-AVENTIS (FR) | 2009-06-16 | — | — | US | disclosed |