Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 12/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | LCAT | P04180 | 2/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28242163 | 0.75 | DHFR (0.40) | TRPA1CYP3A4HRH3DHFRTRPV4 | |
| SCHEMBL16637151 | 0.72 | TRPA1 (0.44) | TRPA1CYP3A4HRH3 | |
| SCHEMBL16635546 | 0.69 | TRPA1 (0.43) | TRPA1CYP3A4HRH3 | |
| SCHEMBL16634952 | 0.69 | TRPA1 (0.51) | TRPA1CYP3A4DHFR | |
| SCHEMBL28869852 | 0.68 | NPC1 (0.48) | CYP3A4HRH3DHFRTRPV4 | |
| SCHEMBL31052478 | 0.65 | DHFR (0.44) | CYP3A4HRH3DHFRTRPV4CHRM4 | |
| SCHEMBL28242208 | 0.65 | TRPV4 (0.42) | TRPA1CYP3A4HRH3DHFRTRPV4 | |
| SCHEMBL15935031 | 0.65 | HTT (0.46) | HRH3DHFRTRPV4 | |
| SCHEMBL15924259 | 0.65 | TRPV4 (0.42) | TRPA1CYP3A4HRH3DHFRTRPV4 | |
| SCHEMBL25154157 | 0.64 | CYP3A4 (0.46) | CYP3A4HRH3DHFRTRPV4LCAT |
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-3055302-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2016-08-17 | — | — | EP | disclosed |
| CN-105612153-A | Substituted sulfonamide compounds as TRPA1 conditioner | HOFFMANN LA ROCHE | 2016-05-25 | — | — | CN | disclosed |
| WO-2015052264-A1 | SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2015-04-16 | — | — | WO | disclosed |