Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR2 | Q9NS75 | 11/20 | 0.59 |
| ▸ | CYSLTR1 | Q9Y271 | 11/20 | 0.59 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | GLA | P06280 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | PPARG | P37231 | 3/20 | 0.54 |
| ▸ | PPARD | Q03181 | 3/20 | 0.54 |
| ▸ | PPARA | Q07869 | 3/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9508078 | 0.92 | GRM2 (0.52) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL9509120 | 0.87 | CYSLTR2 (0.60) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL9510551 | 0.86 | CYSLTR2 (0.61) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL9510558 | 0.83 | CYSLTR2 (0.60) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL10522351 | 0.82 | CYSLTR2 (0.72) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL10702435 | 0.81 | GRM2 (0.73) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| Hydrochloric Acid SCHEMBL10695683 | 0.80 | CYSLTR2 (0.67) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL9579679 | 0.80 | CYSLTR2 (0.62) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL10683956 | 0.80 | CYSLTR2 (0.69) | CYSLTR2CYSLTR1GRM2LMNAMEN1 | |
| SCHEMBL10678948 | 0.80 | CYSLTR2 (0.69) | CYSLTR2CYSLTR1GRM2LMNAMEN1 |
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 3 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 |
| 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 |