Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR2 | P25025 | 11/20 | 0.63 |
| ▸ | PLK1 | P53350 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.49 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.49 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.49 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.49 |
| ▸ | PRKCG | P05129 | 1/20 | 0.49 |
| ▸ | PRKACA | P17612 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | FLT4 | P35916 | 1/20 | 0.49 |
| ▸ | GSK3A | P49840 | 1/20 | 0.49 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.49 |
| ▸ | NEK4 | P51957 | 1/20 | 0.49 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.49 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.49 |
| ▸ | PRKG2 | Q13237 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30673026 | 0.90 | CYP1A2 (0.56) | CXCR2PLK1GSK3BCHEK1MAP4K4 | |
| SCHEMBL24137170 | 0.87 | CXCR2 (0.66) | CXCR2PLK1ALDH1A1ALOX15TSHR | |
| SCHEMBL22198065 | 0.87 | CXCR2 (0.67) | CXCR2PLK1ALDH1A1ALOX15TSHR | |
| SCHEMBL30673015 | 0.87 | CNR1 (0.57) | CXCR2GSK3B | |
| SCHEMBL31318779 | 0.83 | CHEK2 (0.69) | CXCR2GSK3BCHEK1MAP4K4CHEK2 | |
| SCHEMBL10339857 | 0.83 | CXCR2 (0.53) | CXCR2PLK1GSK3BCHEK1ALDH1A1 | |
| SCHEMBL1118626 | 0.82 | ALDH1A1 (0.72) | GSK3BALDH1A1ALOX15TSHRALOX12 | |
| SCHEMBL9479942 | 0.82 | ALDH1A1 (0.72) | GSK3BALDH1A1ALOX15TSHRALOX12 | |
| SCHEMBL30673004 | 0.81 | MEN1 (0.62) | CXCR2GSK3BCHEK1MAP4K4CHEK2 | |
| SCHEMBL30673035 | 0.78 | MEN1 (0.52) | CXCR2GSK3BCHEK1MAP4K4CHEK2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023235548-A1 | SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS | RESEARCH TRIANGLE INSTITUTE (US) | 2023-12-07 | — | — | WO | disclosed |