Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK2 | O96017 | 3/20 | 0.54 |
| ▸ | PRKACA | P17612 | 3/20 | 0.54 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.54 |
| ▸ | AKT1 | P31749 | 3/20 | 0.54 |
| ▸ | GSK3A | P49840 | 3/20 | 0.54 |
| ▸ | GSK3B | P49841 | 3/20 | 0.54 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.54 |
| ▸ | NEK4 | P51957 | 3/20 | 0.54 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.54 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.54 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.54 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.54 |
| ▸ | HIPK4 | Q8NE63 | 3/20 | 0.54 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.54 |
| ▸ | CSNK1G3 | Q9Y6M4 | 3/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.54 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.54 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.54 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL7895000 | 0.90 | CHEK2 (0.43) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7603199 | 0.87 | CHEK2 (0.58) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7894223 | 0.86 | CHEK2 (0.41) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7894077 | 0.82 | RPS6KB1 (0.55) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7886468 | 0.82 | CHEK2 (0.36) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7893938 | 0.81 | RIPK1 (0.39) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7887060 | 0.81 | HDAC3 (0.42) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7886906 | 0.79 | KDM4E (0.46) | CHEK2PRKACARPS6KB1AKT1GSK3A | |
| SCHEMBL7894185 | 0.79 | PLK1 (0.37) | ALDH1A1CYP3A4SMN1; SMN2GAACD38 | |
| SCHEMBL7596888 | 0.77 | ROCK2 (0.47) | CHEK2PRKACAGSK3ARPS6KA3ROCK1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0934257-B1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | WYETH CORP (US) | 2002-12-11 | — | — | EP | claimed |
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | claimed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | claimed |
| US-5763474-A | SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-06-09 | — | — | US | claimed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | claimed |
| EP-0934257-B1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | WYETH CORP (US) | 2002-12-11 | — | — | EP | disclosed |
| EP-1151990-A1 | Substituted N-arylmethylamino derivatives of cyclobutene-3, 4-diones | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-11-07 | — | — | EP | disclosed |
| EP-0934257-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1999-08-11 | — | — | EP | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |