Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 13/20 | 0.44 |
| ▸ | PDE2A | O00408 | 3/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | SCN2B | O60939 | 1/20 | 0.38 |
| ▸ | SCN1B | Q07699 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16634952 | 0.81 | TRPA1 (0.51) | TRPA1CYP3A4 | |
| SCHEMBL16635546 | 0.81 | TRPA1 (0.43) | TRPA1PDE2AHRH3CYP3A4 | |
| SCHEMBL26847601 | 0.80 | TRPV4 (0.41) | TRPA1SCN2BSCN1BSCN9AHRH3 | |
| SCHEMBL26849062 | 0.78 | TRPA1 (0.42) | TRPA1SCN2BSCN1BSCN9AHRH3 | |
| SCHEMBL28242163 | 0.74 | DHFR (0.40) | TRPA1HRH3CYP3A4 | |
| SCHEMBL25408961 | 0.72 | DHFR (0.41) | TRPA1HRH3 | |
| SCHEMBL30567654 | 0.72 | DHFR (0.41) | TRPA1HRH3 | |
| SCHEMBL16635643 | 0.72 | TRPA1 (0.37) | TRPA1HRH3CYP3A4 | |
| SCHEMBL15935031 | 0.70 | HTT (0.46) | HRH3 | |
| SCHEMBL18086468 | 0.70 | KDM4E (0.42) | HRH3 |
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 |