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 | |
|---|---|---|---|---|
| SCHEMBL4332481 | 0.97 | TSHR (0.31) | — | |
| Hydrochloric Acid SCHEMBL2266156 | 0.74 | CYP3A4 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9766444 | 0.72 | THRB (0.33) | — | |
| SCHEMBL5058819 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL28018964 | 0.66 | KDM4E (0.35) | — | |
| Hydrochloric Acid SCHEMBL8859554 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL2821216 | 0.65 | — | — | |
| Alcohol SCHEMBL16825634 | 0.64 | TSHR (0.40) | — | |
| Hydrochloric Acid SCHEMBL17509980 | 0.64 | KDM4E (0.33) | — | |
| SCHEMBL1132483 | 0.62 | TSHR (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5241061-A | Reacting starch with trialkyl/epoxyalkyl/ammonium halide or dialkyl/epoxyalkyl/amine in presence of alkali metal or alkaline earth metal oxide or hydroxide and aluminosilicate clay in medium containing limited water | THE DOW CHEMICAL COMPANY (US) | 1993-08-31 | — | — | US | claimed |
| US-5241061-A | Reacting starch with trialkyl/epoxyalkyl/ammonium halide or dialkyl/epoxyalkyl/amine in presence of alkali metal or alkaline earth metal oxide or hydroxide and aluminosilicate clay in medium containing limited water | THE DOW CHEMICAL COMPANY (US) | 1993-08-31 | — | — | US | disclosed |