Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | PRKACA | P17612 | 1/20 | 0.42 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.42 |
| ▸ | AKT2 | P31751 | 1/20 | 0.42 |
| ▸ | CLK2 | P49760 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.42 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.42 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.42 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.42 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7894225 | 0.92 | RPS6KB1 (0.45) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL7886973 | 0.89 | PRKACA (0.34) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL7896848 | 0.81 | RPS6KB1 (0.62) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL7894060 | 0.80 | CHEK1 (0.45) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL7887039 | 0.78 | RPS6KB1 (0.43) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL7887068 | 0.77 | NPC1 (0.43) | CHEK1ROCK2CHEK2PRKACARPS6KB1 | |
| SCHEMBL7894227 | 0.76 | KDM4E (0.33) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL7886993 | 0.75 | RPS6KB1 (0.39) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL7895625 | 0.75 | IDO1 (0.40) | CHEK1DAPK3ROCK2RPS6KA5CHEK2 | |
| SCHEMBL15432482 | 0.75 | CYP3A4 (0.41) | CYP3A4ALDH1A1NTRK1HTTVNN1 |
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 |