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 | |
|---|---|---|---|---|
| SCHEMBL2577555 | 0.75 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL1384841 | 0.69 | GABRA1 (0.34) | — | |
| SCHEMBL1383883 | 0.69 | GABRA1 (0.32) | — | |
| SCHEMBL1386242 | 0.69 | — | — | |
| SCHEMBL1595423 | 0.69 | GABRA1 (0.35) | — | |
| SCHEMBL14636199 | 0.67 | GABRA1 (0.35) | — | |
| SCHEMBL601135 | 0.66 | GABRA1 (0.33) | — | |
| SCHEMBL4591843 | 0.65 | PDE4B (0.36) | — | |
| SCHEMBL4539007 | 0.64 | CYP2A6 (0.31) | — | |
| SCHEMBL1918099 | 0.63 | GABRA1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4787759-B2 | — | — | 2011-10-05 | — | — | JP | claimed |
| WO-2004103981-A1 | PROCESS FOR PREPARING A 4,7-BIS(5-HALOTHIEN-2-YL)-2,1,3-BENZOTHIADIAZOLE AND A PRECURSOR THEREFOR | DOW GLOBAL TECHNOLOGIES INC. (US) | 2004-12-02 | — | — | WO | claimed |