Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.34 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.34 |
| ▸ | PRKACA | P17612 | 3/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.34 |
| ▸ | GSK3A | P49840 | 3/20 | 0.34 |
| ▸ | GSK3B | P49841 | 3/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 3/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.34 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.34 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.34 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.34 |
| ▸ | HIPK4 | Q8NE63 | 3/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.34 |
| ▸ | CSNK1G3 | Q9Y6M4 | 3/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7894010 | 0.77 | HDAC1 (0.38) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL7896944 | 0.77 | L3MBTL1 (0.34) | — | |
| SCHEMBL7597337 | 0.77 | ALDH1A1 (0.42) | P2RX7 | |
| SCHEMBL7895653 | 0.73 | PLK1 (0.37) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL7886982 | 0.72 | PLK1 (0.51) | HDAC3HDAC1HDAC2HDAC6CHEK2 | |
| SCHEMBL7896821 | 0.69 | GAA (0.47) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL7886455 | 0.69 | CYP3A4 (0.45) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL7895056 | 0.69 | CYP3A4 (0.41) | HDAC3HDAC1HDAC2HDAC6CYP3A4 | |
| SCHEMBL18235954 | 0.67 | MAPT (0.55) | PDK1PDK2PDK3PDK4 | |
| SCHEMBL7895105 | 0.66 | CYP3A4 (0.42) | CYP3A4CD38ABL1P2RX7 |
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 |