Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.44 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.39 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | GPBAR1 | Q8TDU6 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | USP8 | P40818 | 1/20 | 0.30 |
| ▸ | ABL1 | P00519 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16635065 | 0.81 | TRPA1 (0.52) | TRPA1SQORTRPV1PTGS2SYK | |
| SCHEMBL16635364 | 0.81 | TRPA1 (0.54) | TRPA1SQORTRPV1PTGS2SYK | |
| SCHEMBL16634890 | 0.78 | TRPA1 (0.52) | TRPA1TRPV1PTGS2SYKGPBAR1 | |
| SCHEMBL16635613 | 0.73 | TRPA1 (0.50) | TRPA1SQORTRPV1SYK | |
| SCHEMBL15716606 | 0.71 | TRPV1 (0.40) | TRPA1SQORTRPV1PTGS2SYK | |
| SCHEMBL16635218 | 0.71 | TRPV1 (0.40) | TRPA1SQORTRPV1PTGS2SYK | |
| SCHEMBL933554 | 0.70 | SYK (0.33) | SQORSYK | |
| SCHEMBL15716442 | 0.67 | TRPV1 (0.42) | TRPA1TRPV1TSHR | |
| SCHEMBL182777 | 0.67 | HSD17B10 (0.40) | TRPA1SQORSYKTSHRHSD17B10 | |
| SCHEMBL27686214 | 0.66 | TUBB4A (0.47) | TRPA1TRPV1SYKTSHR |
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-3055302-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-08-17 | — | — | EP | disclosed |
| WO-2015052264-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-16 | — | — | WO | disclosed |