Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.64 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.48 |
| ▸ | PRKCA | P17252 | 1/20 | 0.47 |
| ▸ | GRK2 | P25098 | 1/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CDC7 | O00311 | 2/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.46 |
| ▸ | PIM1 | P11309 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.44 |
| ▸ | PRKACA | P17612 | 1/20 | 0.44 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.44 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4856810 | 0.94 | GSK3B (0.71) | GSK3BROCK2ROCK1PRKCAGRK2 | |
| Trifluoroacetic Acid SCHEMBL5659768 | 0.91 | GSK3B (0.64) | GSK3BROCK2ROCK1PRKCAGRK2 | |
| Trifluoroacetic Acid SCHEMBL5657745 | 0.90 | GSK3B (0.55) | GSK3BROCK2ROCK1PRKCAGRK2 | |
| Trifluoroacetic Acid SCHEMBL5658704 | 0.89 | GSK3B (0.67) | GSK3BROCK2ROCK1PRKCAGRK2 | |
| Trifluoroacetic Acid SCHEMBL5657921 | 0.88 | GSK3B (0.62) | GSK3BROCK2ROCK1PRKCAGRK2 | |
| Trifluoroacetic Acid SCHEMBL5658515 | 0.87 | ROCK2 (0.60) | GSK3BROCK2ROCK1PRKCAGRK2 | |
| SCHEMBL4848924 | 0.85 | GSK3B (0.59) | GSK3BROCK2ROCK1PRKCAGRK2 | |
| Trifluoroacetic Acid SCHEMBL5655822 | 0.85 | GSK3B (0.59) | GSK3BROCK2PRKCAGRK2CASP1 | |
| Trifluoroacetic Acid SCHEMBL5659066 | 0.85 | GSK3B (0.59) | GSK3BROCK2PRKCAGRK2CASP1 | |
| Trifluoroacetic Acid SCHEMBL5657375 | 0.85 | GSK3B (0.59) | GSK3BROCK2PRKCAGRK2CASP1 |
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-7309701-B2 | Pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2007-12-18 | — | — | US | disclosed |