Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.59 |
| ▸ | CTSA | P10619 | 12/20 | 0.52 |
| ▸ | PARP1 | P09874 | 2/20 | 0.50 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.48 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL319710 | 0.85 | CTSA (0.56) | CTSAHSD17B14 | |
| SCHEMBL31412487 | 0.81 | GRM2 (0.45) | SCN9ACTSAPARP1GRM2 | |
| SCHEMBL3935967 | 0.80 | HSD11B1 (0.58) | SCN9ACTSAPARP1GRM2 | |
| SCHEMBL9792961 | 0.80 | PIM1 (0.50) | SCN9A | |
| SCHEMBL12856726 | 0.78 | NPC1 (0.53) | CTSAPARP1 | |
| SCHEMBL29470231 | 0.78 | NPC1 (0.53) | CTSAPARP1 | |
| SCHEMBL30755408 | 0.76 | ALDH1A1 (0.61) | SCN9ACTSAPARP1 | |
| SCHEMBL3134600 | 0.76 | SCN9A (0.56) | SCN9A | |
| SCHEMBL608430 | 0.75 | DGAT1 (0.56) | SCN9APARP1HSD17B14 | |
| SCHEMBL29648185 | 0.75 | DGAT1 (0.56) | SCN9APARP1HSD17B14 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2556066-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. Hoffmann-La Roche AG (CH) | 2013-02-13 | — | — | EP | disclosed |
| WO-2011124580-A1 | PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-13 | — | — | WO | disclosed |