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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL27804697 | 0.83 | — | — | |
| SCHEMBL1913 | 0.82 | — | — | |
| SCHEMBL8358538 | 0.82 | TSHR (0.43) | — | |
| SCHEMBL3426362 | 0.82 | — | — | |
| SCHEMBL2151842 | 0.82 | TSHR (0.43) | — | |
| Water SCHEMBL11756523 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL1984837 | 0.73 | — | — | |
| Bromide SCHEMBL10538725 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL4062894 | 0.73 | — | — | |
| SCHEMBL17620634 | 0.73 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101171015-A | Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same | RENOVIS INC (US) | 2008-04-30 | — | — | CN | disclosed |