Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 9/20 | 0.76 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.76 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.76 |
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 | |
|---|---|---|---|---|
| SCHEMBL2694570 | 0.87 | PTGS2 (1.00) | PTGS1PTGS2ALOX5 | |
| SCHEMBL9182983 | 0.85 | PTGS2 (0.97) | PTGS1PTGS2ALOX5 | |
| Choline SCHEMBL2694466 | 0.78 | PTGS2 (1.00) | PTGS1PTGS2ALOX5 | |
| SCHEMBL9180492 | 0.69 | PTGS1 (1.00) | PTGS1PTGS2ALOX5 | |
| SCHEMBL9499511 | 0.68 | PTGS2 (0.66) | PTGS1PTGS2ALOX5 | |
| SCHEMBL9181595 | 0.66 | PTGS2 (0.66) | PTGS1PTGS2ALOX5 | |
| SCHEMBL14672731 | 0.65 | ALDH1A1 (0.60) | PTGS1PTGS2 | |
| SCHEMBL9177858 | 0.65 | PTGS1 (0.62) | PTGS1PTGS2ALOX5 | |
| SCHEMBL9731929 | 0.65 | PTGS2 (0.58) | PTGS1PTGS2ALOX5 | |
| SCHEMBL9177866 | 0.65 | PTGS1 (0.62) | PTGS1PTGS2ALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| US-5376670-A | 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,3,4-thiadiazoles, and oxadiazoles and 3,5-di-tertiary-butyl-4-hydroxyphenyl-1,2,4-thiadazoles, oxadiazoles and triazoles as antiinflammatory agents | WARNER-LAMBERT COMPANY (US) | 1994-12-27 | — | — | US | disclosed |