Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 6/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.43 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | PRKX | P51817 | 1/20 | 0.41 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.41 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.41 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.41 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.41 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8634293 | 1.00 | PLK1 (0.53) | PLK1EPHX2NR1H4HDAC1CHEK1 | |
| SCHEMBL8635955 | 0.86 | GRM2 (0.45) | PLK1CHEK1CDC7PLK4DAPK3 | |
| SCHEMBL7894236 | 0.86 | GRM2 (0.45) | PLK1CHEK1CDC7PLK4DAPK3 | |
| SCHEMBL8639166 | 0.83 | CHEK1 (0.47) | PLK1HDAC1CHEK1CDC7PLK4 | |
| SCHEMBL7887005 | 0.83 | CHEK1 (0.47) | PLK1HDAC1CHEK1CDC7PLK4 | |
| SCHEMBL7894756 | 0.83 | PLK1 (0.48) | PLK1CHEK1CDC7PLK4DAPK3 | |
| SCHEMBL7894753 | 0.83 | PLK1 (0.48) | PLK1CHEK1CDC7PLK4DAPK3 | |
| SCHEMBL7894980 | 0.82 | EPHX2 (0.46) | EPHX2NR1H4HDAC1VNN1HDAC3 | |
| SCHEMBL7886866 | 0.78 | ABCC9 (0.58) | PLK1EPHX2CHEK1CDC7PLK4 | |
| SCHEMBL7894022 | 0.78 | ABCC9 (0.58) | PLK1EPHX2CHEK1CDC7PLK4 |
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-5750574-A | ADMINISTERING TO REDUCE THE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-05-12 | — | — | 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-5750574-A | ADMINISTERING TO REDUCE THE EFFECTS OF SMOOTH MUSCLE CONTRACTIONS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-05-12 | — | — | US | disclosed |
| WO-1998002413-A1 | SUBSTITUTED N-ARYLMETHYLAMINO DERIVATIVES OF CYCLOBUTENE-3,4-DIONES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-01-22 | — | — | WO | disclosed |