Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.34 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.34 |
| ▸ | GPR6 | P46095 | 4/20 | 0.33 |
| ▸ | SPR | P35270 | 3/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16635032 | 0.82 | TRPA1 (0.41) | TRPA1ALDH1A1KDM4EMAPTFFAR4 | |
| SCHEMBL16634959 | 0.79 | TRPA1 (0.38) | TRPA1KDM4EGPR6 | |
| SCHEMBL16635339 | 0.79 | TRPA1 (0.46) | TRPA1KDM4EMAPTFFAR4TRPV3 | |
| SCHEMBL22910729 | 0.75 | ADRB1 (0.47) | ALDH1A1MAPT | |
| SCHEMBL25207396 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL30279094 | 0.73 | ALDH1A1 (0.43) | ALDH1A1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL16906669 | 0.73 | MAP4K4 (0.40) | TRPA1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL20609185 | 0.71 | KDM4E (0.35) | CHRM4KDM4EFFAR4 | |
| SCHEMBL20609233 | 0.71 | KDM4E (0.35) | CHRM4KDM4EFFAR4 | |
| SCHEMBL20609187 | 0.71 | KDM4E (0.35) | CHRM4KDM4EFFAR4 |
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 |