Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 5/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.39 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | PLK1 | P53350 | 2/20 | 0.39 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.39 |
| ▸ | GSK3A | P49840 | 1/20 | 0.39 |
| ▸ | GSK3B | P49841 | 1/20 | 0.39 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.39 |
| ▸ | PRKX | P51817 | 1/20 | 0.39 |
| ▸ | NEK4 | P51957 | 1/20 | 0.39 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.39 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.39 |
| ▸ | BRSK1 | Q8TDC3 | 1/20 | 0.39 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.39 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.39 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4539537 | 0.81 | MAPKAPK2 (0.60) | CXCR2ROCK1AURKBCYP2D6PLK1 | |
| SCHEMBL9146091 | 0.77 | MAPKAPK2 (0.65) | CXCR2ROCK1AURKBCYP2D6PLK1 | |
| SCHEMBL8871512 | 0.77 | MAPKAPK2 (0.65) | CXCR2ROCK1AURKBCYP2D6PLK1 | |
| SCHEMBL8870870 | 0.77 | MAPKAPK2 (0.65) | CXCR2ROCK1AURKBCYP2D6PLK1 | |
| SCHEMBL8768875 | 0.74 | CXCR2 (0.43) | CXCR2KDM1AADAMTS5ABCB1ABCG2 | |
| SCHEMBL8768638 | 0.72 | ADAMTS5 (0.44) | CXCR2KDM1AADAMTS5ABCB1ABCG2 | |
| SCHEMBL9148479 | 0.72 | CXCR2 (0.57) | CXCR2ROCK1AURKBCYP2D6PLK1 | |
| SCHEMBL8871160 | 0.72 | CXCR2 (0.57) | CXCR2ROCK1AURKBCYP2D6PLK1 | |
| SCHEMBL8871672 | 0.72 | CXCR2 (0.57) | CXCR2ROCK1AURKBCYP2D6PLK1 | |
| SCHEMBL8870499 | 0.69 | CXCR2 (0.47) | CXCR2ROCK1AURKBCYP2D6PLK1 |
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 2 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 |