Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.41 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 1/20 | 0.41 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | CLK2 | P49760 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | PRKX | P51817 | 1/20 | 0.41 |
| ▸ | NEK4 | P51957 | 1/20 | 0.41 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 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 | |
|---|---|---|---|---|
| SCHEMBL7894007 | 0.87 | POLB (0.37) | ROCK2CHEK2PRKACARPS6KB1MAPK1 | |
| SCHEMBL13355348 | 0.85 | CLK2 (0.52) | CHEK1ROCK2RPS6KA5MAP4K4CHEK2 | |
| SCHEMBL7895099 | 0.80 | LOXL2 (0.46) | CHEK1CHEK2PRKACARPS6KB1GSK3A | |
| SCHEMBL7895472 | 0.79 | CHEK2 (0.43) | CHEK1ROCK2RPS6KA5MAP4K4CHEK2 | |
| SCHEMBL7894223 | 0.79 | CHEK2 (0.41) | CHEK1ROCK2RPS6KA5MAP4K4CHEK2 | |
| SCHEMBL7894993 | 0.75 | ABCC9 (0.47) | CHEK1ROCK2RPS6KA5MAP4K4CHEK2 | |
| SCHEMBL7895622 | 0.73 | GPR35 (0.37) | PDE5APOLBMAPTGAAIDH1 | |
| SCHEMBL22320268 | 0.72 | GAA (0.50) | MAPK1POLBMAPTKDM4ETDP1 | |
| SCHEMBL9208078 | 0.72 | GAA (0.52) | POLBMAPTGAAL3MBTL1LMNA | |
| SCHEMBL18130645 | 0.71 | LOXL2 (0.50) | ROCK2NOS3NOS1 |
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 4 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 | 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 |