Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.36 |
| ▸ | CDC7 | O00311 | 2/20 | 0.35 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.34 |
| ▸ | CASP1 | P29466 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | PRKACA | P17612 | 1/20 | 0.32 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5561371 | 0.90 | ROCK1 (0.33) | SQORCDC7DBF4ROCK1MAPT | |
| SCHEMBL1750924 | 0.88 | NR1H2 (0.42) | — | |
| SCHEMBL5567692 | 0.86 | PARP1 (0.36) | MEN1KMT2ACYP46A1 | |
| SCHEMBL5562320 | 0.85 | CYP1A2 (0.37) | ROCK1CYP3A4PRKACA | |
| SCHEMBL5562545 | 0.84 | MAPT (0.36) | SQORCDC7DBF4MAPTALDH1A1 | |
| SCHEMBL5567642 | 0.82 | SQOR (0.32) | SQORMAPTCASP1CYP3A4 | |
| SCHEMBL5567645 | 0.82 | SQOR (0.32) | SQORMAPTCASP1CYP3A4 | |
| SCHEMBL5562322 | 0.81 | MKNK1 (0.32) | CYP3A4 | |
| SCHEMBL5567828 | 0.81 | KDM4E (0.40) | ROCK1ALDH1A1MEN1KMT2AROCK2 | |
| SCHEMBL1750913 | 0.79 | NR1H2 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1751141-A1 | NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 | Aventis Pharma S.A. (FR) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005111019-A1 | NOVEL PYRIDAZINONE DERIVATIVES AS INHIBITORS OF CDK2 | AVENTIS PHARMA S.A. (FR) | 2005-11-24 | — | — | WO | disclosed |