Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 12/20 | 0.46 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | DGAT1 | O75907 | 4/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18018308 | 0.86 | TRPA1 (0.46) | TRPA1FGFR1 | |
| SCHEMBL18017676 | 0.84 | TRPA1 (0.49) | TRPA1FGFR1 | |
| SCHEMBL19807684 | 0.80 | TRPA1 (0.45) | TRPA1FGFR1DGAT1 | |
| SCHEMBL21010418 | 0.77 | TRPA1 (0.43) | TRPA1FGFR1DGAT1 | |
| SCHEMBL20997476 | 0.77 | TRPA1 (0.45) | TRPA1FGFR1DGAT1 | |
| SCHEMBL19807679 | 0.77 | TRPA1 (0.43) | TRPA1FGFR1DGAT1 | |
| SCHEMBL23811274 | 0.76 | TRPA1 (0.35) | TRPA1 | |
| SCHEMBL19807437 | 0.76 | TRPA1 (0.52) | TRPA1FGFR1DGAT1 | |
| SCHEMBL19795019 | 0.75 | PTGS2 (0.37) | TRPA1FGFR1DGAT1 | |
| SCHEMBL21442136 | 0.74 | TRPA1 (0.42) | TRPA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016128529-A1 | 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | disclosed |