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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL1726600 | 0.58 | — | — | |
| Bromide SCHEMBL21905448 | 0.58 | — | — | |
| SCHEMBL3332543 | 0.57 | — | — | |
| Iodide SCHEMBL4566522 | 0.56 | — | — | |
| Iodide SCHEMBL818987 | 0.49 | — | — | |
| Pyridine SCHEMBL28413811 | 0.47 | — | — | |
| Benzene SCHEMBL27757553 | 0.44 | — | — | |
| Pyrazine SCHEMBL9223034 | 0.40 | TSHR (0.33) | — | |
| Benzene SCHEMBL9787317 | 0.39 | TSHR (0.38) | — | |
| Benzene SCHEMBL24022 | 0.39 | TSHR (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4808727-A | CHEMICAL INTERMEDIATES FOR WATER-SOLUBLE SALTS OF PARASITICIDES | HOFFMANN-LAROCHE INC. (US) | 1989-02-28 | — | — | US | disclosed |