Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.36 |
| ▸ | CD38 | P28907 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.35 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.33 |
| ▸ | GSK3A | P49840 | 3/20 | 0.33 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.33 |
| ▸ | PRKACA | P17612 | 2/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.33 |
| ▸ | NEK4 | P51957 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7895056 | 0.90 | CYP3A4 (0.41) | HDAC1HDAC3HDAC2HDAC6CXCR2 | |
| SCHEMBL7886455 | 0.90 | CYP3A4 (0.45) | HDAC1HDAC3HDAC2HDAC6CXCR2 | |
| SCHEMBL7895653 | 0.86 | PLK1 (0.37) | HDAC1HDAC3HDAC2HDAC6CYP3A4 | |
| SCHEMBL7894120 | 0.84 | CHEK2 (0.33) | CXCR2CHEK2GSK3AGSK3BRPS6KA3 | |
| SCHEMBL7894237 | 0.84 | HPGD (0.39) | HDAC1HDAC3HDAC2HDAC6CXCR2 | |
| SCHEMBL7894202 | 0.83 | KDM4C (0.40) | HDAC1CXCR2CD38CHEK2GSK3A | |
| SCHEMBL7894239 | 0.83 | CHEK1 (0.39) | HDAC1CXCR2CYP3A4CD38KCNH2 | |
| SCHEMBL7895628 | 0.81 | ROCK2 (0.32) | CHEK2GSK3AGSK3BRPS6KA3ROCK1 | |
| SCHEMBL7886982 | 0.79 | PLK1 (0.51) | HDAC1HDAC3HDAC2HDAC6CHEK2 | |
| SCHEMBL7895105 | 0.78 | CYP3A4 (0.42) | CYP3A4CD38P2RX7MAPK1PLK1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | 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-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 |
| US-5780505-A | ADMINISTERING AS SMOOTH MUSCLE RELAXANT | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-07-14 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |