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 SCHEMBL149880 | 0.86 | — | — | |
| SCHEMBL9778283 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL4449129 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL31151855 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL4439139 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL15377853 | 0.57 | — | — | |
| Butadiene SCHEMBL11300875 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL4451970 | 0.57 | — | — | |
| Butadiene SCHEMBL21247691 | 0.57 | — | — | |
| Hydrochloric Acid SCHEMBL22074688 | 0.57 | — | — |
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-20130281728-A1 | 1,3-AZABORINES | State Board of Higher Education on behalf of University of Oregon | 2013-10-24 | — | — | US | disclosed |