Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.55 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.54 |
| ▸ | CYSLTR2 | Q9NS75 | 5/20 | 0.54 |
| ▸ | CYSLTR1 | Q9Y271 | 5/20 | 0.54 |
| ▸ | KAT8 | Q9H7Z6 | 2/20 | 0.52 |
| ▸ | PDE5A | O76074 | 2/20 | 0.50 |
| ▸ | CNR1 | P21554 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL9506988 | 1.00 | PPARA (0.55) | PPARAGRM2CYSLTR2CYSLTR1KAT8 | |
| SCHEMBL9509142 | 0.95 | GRM2 (0.54) | PPARAGRM2CYSLTR2CYSLTR1PDE5A | |
| SCHEMBL9579679 | 0.91 | CYSLTR2 (0.62) | PPARAGRM2CYSLTR2CYSLTR1PDE5A | |
| SCHEMBL9558399 | 0.90 | GRM2 (0.54) | PPARAGRM2CYSLTR2CYSLTR1 | |
| SCHEMBL9558318 | 0.90 | GRM2 (0.54) | PPARAGRM2CYSLTR2CYSLTR1 | |
| SCHEMBL9558394 | 0.90 | GRM2 (0.54) | PPARAGRM2CYSLTR2CYSLTR1 | |
| SCHEMBL9559062 | 0.90 | GRM2 (0.54) | PPARAGRM2CYSLTR2CYSLTR1 | |
| SCHEMBL9557971 | 0.90 | GRM2 (0.54) | PPARAGRM2CYSLTR2CYSLTR1 | |
| SCHEMBL9558325 | 0.89 | GRM2 (0.55) | PPARAGRM2CYSLTR2CYSLTR1PDE5A | |
| SCHEMBL9508127 | 0.87 | CYSLTR2 (0.53) | PPARAGRM2CYSLTR2CYSLTR1PDE5A |
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-0310126-B1 | DERIVATIVES OF PYROCATECHOL-CARBOXYLIC ACID, THEIR PREPARATION AND USE AS ACTIVE INGREDIENTS IN MEDICINES | F. HOFFMANN-LA ROCHE AG (CH) | 1993-08-18 | — | — | EP | claimed |
| EP-0310126-A2 | Derivatives of pyrocatechol-carboxylic acid, their preparation and use as active ingredients in medicines | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-05 | — | — | EP | claimed |
| US-5191108-A | Lipoxygenase inhibitors, antiinflammatory agents | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| US-5025036-A | Antiinflammatory agents, gastrointestinal, cardiovascular and skin disorders | HOFFMANN-LA ROCHE INC. (US) | 1991-06-18 | — | — | US | disclosed |