Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 7/20 | 0.40 |
| ▸ | ADAMTS5 | Q9UNA0 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 3/20 | 0.36 |
| ▸ | CSNK1G2 | P78368 | 2/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.36 |
| ▸ | PRKACA | P17612 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | NEK4 | P51957 | 1/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.36 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8768875 | 0.89 | CXCR2 (0.43) | RORCADAMTS5CXCR2KDM1A | |
| SCHEMBL8768956 | 0.87 | ADAMTS5 (0.46) | ADAMTS5ALDH1A1KCNA5GSK3BHDAC1 | |
| SCHEMBL8767671 | 0.85 | CXCR2 (0.45) | ADAMTS5ALDH1A1CXCR2 | |
| SCHEMBL8768638 | 0.80 | ADAMTS5 (0.44) | RORCADAMTS5KCNA5CXCR2KDM1A | |
| SCHEMBL8768157 | 0.74 | CXCR2 (0.45) | ALDH1A1KCNA5GSK3BGSK3ACXCR2 | |
| SCHEMBL8767798 | 0.72 | ABCC9 (0.53) | ADAMTS5ALDH1A1KCNA5CXCR2KDM1A | |
| SCHEMBL8768613 | 0.71 | GSK3B (0.50) | ALDH1A1CYP2A6GSK3BCSNK1G2GSK3A | |
| SCHEMBL23573064 | 0.70 | CYP2A6 (0.52) | ALDH1A1CYP2A6HCRTR2 | |
| SCHEMBL10694580 | 0.70 | ALDH1A1 (0.73) | ALDH1A1CYP2A6GSK3BCSNK1G2GSK3A | |
| SCHEMBL4370003 | 0.69 | MAPKAPK2 (0.50) | ADAMTS5GSK3BCSNK1G2GSK3ACHEK1 |
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 |