Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PLK1 | P53350 | 4/20 | 0.43 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.42 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.42 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.42 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 9/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | PLK4 | O00444 | 1/20 | 0.40 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | PRKX | P51817 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7887045 | 0.84 | PLK1 (0.50) | HDAC3HDAC1HDAC2HDAC6PLK1 | |
| SCHEMBL8632448 | 0.84 | PLK1 (0.50) | HDAC3HDAC1HDAC2HDAC6PLK1 | |
| SCHEMBL7895090 | 0.84 | ABCC9 (0.45) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7895134 | 0.83 | HDAC3 (0.46) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL7895721 | 0.82 | ABCC9 (0.43) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7894753 | 0.78 | PLK1 (0.48) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7894756 | 0.78 | PLK1 (0.48) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL8635488 | 0.76 | PLK1 (0.52) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7895433 | 0.76 | PLK1 (0.52) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7597329 | 0.74 | ROCK2 (0.46) | HDAC1HDAC6PLK1ABCC9ABCC8 |
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 |