Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | PPARD | Q03181 | 1/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.45 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 1/20 | 0.45 |
| ▸ | PPARA | Q07869 | 1/20 | 0.45 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | PTGDR2 | Q9Y5Y4 | 3/20 | 0.43 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.43 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.42 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.41 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8591991 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP2C19AKR1B1PPARDNR1H4 | |
| SCHEMBL5795203 | 0.82 | PPARG (0.64) | CYP1A2CYP2C19PPARDPPARGPPARA | |
| SCHEMBL761677 | 0.78 | MAPK14 (0.54) | FFAR1CETP | |
| SCHEMBL1550516 | 0.77 | PPARA (0.49) | CYP1A2CYP2C19AKR1B1PPARDNR1H4 | |
| Hydrochloric Acid SCHEMBL2525556 | 0.77 | MAPK14 (0.53) | FFAR1CETP | |
| SCHEMBL6081046 | 0.76 | PPARA (0.67) | CYP1A2CYP2C19PPARGPPARAPLA2G4B | |
| SCHEMBL229067 | 0.76 | PTGS1 (0.67) | CYP1A2PTGS1AKR1C3AKR1C2PTGDR2 | |
| SCHEMBL415441 | 0.76 | FFAR1 (0.68) | AKR1B1FFAR1AKR1C3PTGDR2SRD5A2 | |
| SCHEMBL892932 | 0.76 | CYP1A2 (0.71) | CYP1A2CYP2C19AKR1B1PPARDNR1H4 | |
| SCHEMBL29824310 | 0.76 | PTGS1 (0.67) | CYP1A2PTGS1AKR1C3AKR1C2PTGDR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1601251-A4 | COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS | WELLSTAT THERAPEUTICS CORP (US) | 2007-03-28 | — | — | EP | claimed |
| EP-1601251-A2 | COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS | Wellstat Therapeutics Corporation (US) | 2005-12-07 | — | — | EP | claimed |
| WO-2004073611-A2 | COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS | WELLSTAT THERAPEUTICS CORPORATION (US) | 2004-09-02 | — | — | WO | claimed |
| EP-1027332-A1 | NOVEL LACTAM METALLOPROTEASE INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2000-08-16 | — | — | EP | disclosed |
| WO-1999018074-A1 | NOVEL LACTAM METALLOPROTEASE INHIBITORS | Britol-Myers Squibb Pharma Company (US) | 1999-04-15 | — | — | WO | disclosed |