Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4425837 | 1.00 | GSK3B (0.43) | GSK3BCYP2D6CYP1A2CYP46A1PIK3R1 | |
| SCHEMBL4425851 | 1.00 | GSK3B (0.43) | GSK3BCYP2D6CYP1A2CYP46A1PIK3R1 | |
| SCHEMBL5559223 | 0.95 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2CYP46A1 | |
| SCHEMBL5559206 | 0.95 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2CYP46A1 | |
| SCHEMBL5559215 | 0.95 | GSK3B (0.44) | GSK3BCYP2D6CYP1A2CYP46A1 | |
| SCHEMBL4421017 | 0.91 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2PIK3R1PIK3CA | |
| SCHEMBL4421015 | 0.91 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2PIK3R1PIK3CA | |
| SCHEMBL5559918 | 0.90 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL4431960 | 0.90 | GSK3B (0.42) | GSK3BCYP2D6CYP1A2 | |
| SCHEMBL5560982 | 0.90 | GSK3B (0.42) | 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 |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-1699795-B1 | SUBSTITUTED 8'-PYRI(MI)DINYL-DIHYDROSPIRO-[CYCLOALKLYMINE]-PYRIMIDO[1,2A]PYRIMIDIN-6-ONE DERIVATIVES | SANOFI AVENTIS (FR) | 2007-04-25 | — | — | EP | claimed |