Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | PLA2G4B | P0C869 | 8/20 | 0.52 |
| ▸ | RARB | P10826 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | APEX1 | P27695 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9506820 | 0.84 | MCL1 (0.43) | — | |
| SCHEMBL9509204 | 0.84 | CNR2 (0.44) | — | |
| SCHEMBL10411632 | 0.79 | AKR1C3 (0.57) | TSHR | |
| Methane SCHEMBL10411635 | 0.78 | PTGS1 (0.45) | TSHRPLA2G4B | |
| SCHEMBL9510354 | 0.77 | PLA2G4B (0.55) | TP53TSHRPLA2G4BRARBHTT | |
| SCHEMBL209561 | 0.75 | TP53 (0.82) | TP53TSHRPLA2G4BRARBHTT | |
| SCHEMBL14097198 | 0.75 | TP53 (0.82) | TP53TSHRPLA2G4BRARBHTT | |
| SCHEMBL7911508 | 0.75 | TP53 (0.82) | TP53TSHRPLA2G4BRARBHTT | |
| SCHEMBL2180731 | 0.75 | TP53 (0.82) | TP53TSHRPLA2G4BRARBHTT | |
| SCHEMBL2181009 | 0.75 | TP53 (0.82) | TP53TSHRPLA2G4BRARBHTT |
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 |