Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.42 |
| ▸ | TRPV3 | Q8NET8 | 6/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL16647793 | 0.97 | TRPA1 (0.46) | TRPA1KCNH2TRPV3PIK3CAPI4KB | |
| Hydrochloric Acid SCHEMBL16634898 | 0.96 | TRPA1 (0.45) | TRPA1KCNH2TRPV3PIK3CAPI4KB | |
| SCHEMBL18223601 | 0.81 | KCNH2 (0.41) | TRPA1KCNH2TRPV3PIK3CAPI4KB | |
| SCHEMBL21716199 | 0.80 | KCNH2 (0.48) | KCNH2TRPV3PIK3CAPI4KBMAP4K4 | |
| SCHEMBL17987135 | 0.79 | MAOA (0.35) | TRPA1PDE10A | |
| SCHEMBL3727413 | 0.78 | CTSS (0.49) | TRPV3 | |
| SCHEMBL3721013 | 0.77 | TRPA1 (0.47) | TRPA1 | |
| SCHEMBL16635373 | 0.77 | KCNH2 (0.42) | KCNH2TRPV3PIK3CAPI4KBMAP4K4 | |
| Hydrochloric Acid SCHEMBL16635050 | 0.76 | TRPA1 (0.47) | TRPA1 | |
| SCHEMBL28864065 | 0.75 | KDM4E (0.46) | KCNH2TRPV3PIK3CAPDE10A |
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 |