Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 15/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 12/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | GRK2 | P25098 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.38 |
| ▸ | PDE9A | O76083 | 1/20 | 0.36 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL7993013 | 0.97 | ROCK2 (0.41) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7993164 | 0.95 | ROCK2 (0.42) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7990740 | 0.89 | ROCK2 (0.40) | ROCK2ROCK1CYP3A4CYP2D6F2 | |
| SCHEMBL7992999 | 0.84 | CDC7 (0.40) | ROCK2F2CDC7MAP4K4PIM1 | |
| SCHEMBL7989847 | 0.81 | CDC7 (0.43) | ROCK2ROCK1GRK2CDC7MAP4K4 | |
| SCHEMBL5380552 | 0.80 | XDH (0.53) | ROCK2CDC7MAP4K4PIM1PRKACA | |
| SCHEMBL7993806 | 0.78 | FABP1 (0.45) | ROCK2GRK2CDC7MAP4K4PIM1 | |
| SCHEMBL7996288 | 0.76 | MTNR1A (0.46) | ROCK2ROCK1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7991079 | 0.76 | ALOX5 (0.41) | ROCK2ROCK1GRK2CDC7MAP4K4 | |
| SCHEMBL7996305 | 0.76 | CDC7 (0.45) | CDC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001070727-A1 | 2-(ARYLALKYLAMINO)PYRIMIDONE DERIVATIVES AND 2-(HETEROARYLALKYLAMINO)PYRIMIDONE DERIVATIVES | SANOFI-SYNTHELABO (FR) | 2001-09-27 | — | — | WO | claimed |