Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.30 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.30 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.30 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4814286 | 0.70 | ALDH1A1 (0.34) | — | |
| SCHEMBL15314117 | 0.65 | ALOX5 (0.40) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9638607 | 0.64 | ALDH1A1 (0.31) | — | |
| SCHEMBL7056761 | 0.63 | ALOX5 (0.35) | ALOX5 | |
| SCHEMBL9789288 | 0.62 | — | — | |
| SCHEMBL2947816 | 0.60 | — | — | |
| SCHEMBL1204693 | 0.60 | EPHX1 (0.40) | — | |
| SCHEMBL14167186 | 0.60 | ALOX5 (0.41) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL15314152 | 0.60 | CHRNB2 (0.37) | ALOX5CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL1204694 | 0.60 | EPHX1 (0.40) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0326107-B1 | ANTIARTHRITIC BETA-CYCLOALKYL-BETA-OXOPROPIONITRILES | Bristol-Myers Squibb Company (US) | 1992-09-02 | — | — | EP | disclosed |
| US-4935434-A | Antiarthritic isoxazole-4-carboxamides | BRISTOL-MYERS COMPANY (US) | 1990-06-19 | — | — | US | disclosed |
| US-4888357-A | ANTIINFLAMMATORY AGENTS | BRISTOL-MYERS COMPANY (US) | 1989-12-19 | — | — | US | disclosed |
| EP-0326107-A1 | Antiarthritic beta-cycloalkyl-beta-oxopropionitriles | Bristol-Myers Squibb Company (US) | 1989-08-02 | — | — | EP | disclosed |