Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPKAPK2 | P49137 | 9/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 7/20 | 0.48 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.48 |
| ▸ | CHEK2 | O96017 | 6/20 | 0.48 |
| ▸ | GSK3A | P49840 | 6/20 | 0.48 |
| ▸ | GSK3B | P49841 | 6/20 | 0.48 |
| ▸ | CDC42BPA | Q5VT25 | 6/20 | 0.48 |
| ▸ | CSNK1G3 | Q9Y6M4 | 6/20 | 0.48 |
| ▸ | CSNK1G1 | Q9HCP0 | 5/20 | 0.48 |
| ▸ | CSNK1G2 | P78368 | 4/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 4/20 | 0.48 |
| ▸ | NEK4 | P51957 | 4/20 | 0.48 |
| ▸ | STK17A | Q9UEE5 | 3/20 | 0.48 |
| ▸ | PLK1 | P53350 | 3/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | RPS6KA1 | Q15418 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL4366400 | 0.83 | CXCR2 (0.40) | MAPKAPK2AURKBCSNK1G1PDGFRAMAPK1 | |
| SCHEMBL4370733 | 0.83 | MAPKAPK2 (0.38) | MAPKAPK2AURKBCSNK1G1PDGFRAMAPK1 | |
| SCHEMBL8768875 | 0.81 | CXCR2 (0.43) | CXCR2ADAMTS5NR3C2 | |
| SCHEMBL4364985 | 0.80 | SMN1; SMN2 (0.38) | MAPK1CXCR2KDRADAMTS5NR3C2 | |
| SCHEMBL8769026 | 0.78 | ADAMTS5 (0.46) | PLK1CXCR2ADAMTS5NR3C2 | |
| SCHEMBL8767825 | 0.75 | CXCR2 (0.44) | GSK3AGSK3BCLK4MAPK1FLT4 | |
| SCHEMBL4539537 | 0.72 | MAPKAPK2 (0.60) | MAPKAPK2AURKBROCK1CHEK2GSK3A | |
| SCHEMBL24620298 | 0.72 | MAPT (0.47) | NR3C2 | |
| SCHEMBL8768638 | 0.71 | ADAMTS5 (0.44) | CXCR2ADAMTS5 | |
| SCHEMBL8768608 | 0.69 | RORC (0.40) | MAPKAPK2AURKBROCK1CHEK2GSK3A |
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-0789690-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-08-20 | — | — | EP | claimed |
| WO-1996014300-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-17 | — | — | WO | claimed |
| WO-2009012375-A2 | SQUARATE KINASE INHIBITORS | WYETH (US) | 2009-01-22 | — | — | WO | disclosed |
| EP-0789690-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-08-20 | — | — | EP | disclosed |
| WO-1996014300-A1 | N-ARYL AND N-HETEROARYL-1,2-DIAMINOCYCLOBUTENE-3,4-DIONES WITH SMOOTH MUSCLE RELAXING ACTIVITIES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1996-05-17 | — | — | WO | disclosed |