Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.45 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | TEAD1 | P28347 | 1/20 | 0.39 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4794897 | 0.89 | SCN9A (0.48) | SCN9ANPBWR1AKR1C3PTGS1PTGS2 | |
| SCHEMBL4794908 | 0.88 | TEAD1 (0.46) | SCN9APTGS2CYP2C9TEAD1TEAD4 | |
| SCHEMBL4794151 | 0.84 | SCN9A (0.40) | SCN9ANPBWR1PTGS2NR3C1CYP2C9 | |
| SCHEMBL13202468 | 0.84 | SCN9A (0.49) | SCN9ANPBWR1AKR1C3PTGS1PTGS2 | |
| SCHEMBL4792886 | 0.83 | SCN9A (0.54) | SCN9ANR3C1CYP2C9NPSR1 | |
| SCHEMBL4795117 | 0.83 | CNR1 (0.41) | SCN9APTGS1PTGS2CYP2C9 | |
| SCHEMBL25240651 | 0.80 | SCN9A (0.43) | SCN9ANPBWR1AKR1C3PTGS1PTGS2 | |
| SCHEMBL30481253 | 0.80 | SCN9A (0.43) | SCN9ANPBWR1AKR1C3PTGS1PTGS2 | |
| SCHEMBL30481249 | 0.80 | SCN9A (0.43) | SCN9ANPBWR1AKR1C3PTGS1PTGS2 | |
| SCHEMBL4791493 | 0.79 | SCN9A (0.47) | SCN9AAKR1C3AKR1C2CYP1A2TEAD1 |
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-1937647-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | Inpharmatica Limited (GB) | 2008-07-02 | — | — | EP | disclosed |
| WO-2007036727-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | INPHARMATICA LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |
| WO-2007036727-A1 | CONDENSED PYRAZOLE DERIVATIVES AS PPAR AGONISTS II | INPHARMATICA LIMITED (GB) | 2007-04-05 | — | — | WO | disclosed |