Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 12/20 | 0.40 |
| ▸ | ABCC9 | O60706 | 1/20 | 0.39 |
| ▸ | ABCC8 | Q09428 | 1/20 | 0.39 |
| ▸ | KCNJ11 | Q14654 | 1/20 | 0.39 |
| ▸ | KCNJ8 | Q15842 | 1/20 | 0.39 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.39 |
| ▸ | CDC7 | O00311 | 2/20 | 0.39 |
| ▸ | PLK4 | O00444 | 2/20 | 0.39 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.39 |
| ▸ | PIM1 | P11309 | 2/20 | 0.39 |
| ▸ | GSK3A | P49840 | 2/20 | 0.39 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | PRKX | P51817 | 2/20 | 0.39 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.39 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7597275 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2PLK1ABCC9 | |
| SCHEMBL7602216 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HPGDSMN1; SMN2PLK1ABCC9 | |
| SCHEMBL7597876 | 0.90 | ALDH1A1 (0.40) | ALDH1A1HPGDSMN1; SMN2PLK1ABCC9 | |
| SCHEMBL7894266 | 0.90 | PLK1 (0.40) | ALDH1A1HPGDSMN1; SMN2PLK1ABCC9 | |
| SCHEMBL7887158 | 0.86 | ABCC9 (0.48) | ALDH1A1HPGDSMN1; SMN2PLK1ABCC9 | |
| SCHEMBL7894968 | 0.82 | PLK1 (0.46) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7599531 | 0.82 | ALDH1A1 (0.44) | ALDH1A1HPGDSMN1; SMN2P2RX7 | |
| SCHEMBL7895118 | 0.81 | PLK1 (0.43) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7597329 | 0.79 | ROCK2 (0.46) | PLK1ABCC9ABCC8KCNJ11KCNJ8 | |
| SCHEMBL7597380 | 0.79 | ROCK2 (0.46) | PLK1ABCC9ABCC8KCNJ11KCNJ8 |
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 5 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 | 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 |
| US-5763474-A | SMOOTH MUSCLE RELAXANTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-06-09 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |