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 SCHEMBL17583791 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28521740 | 0.72 | CYP1A2 (0.31) | — | |
| SCHEMBL19940003 | 0.64 | PLAU (0.42) | — | |
| Hydrochloric Acid SCHEMBL28766395 | 0.63 | NOS3 (0.30) | — | |
| SCHEMBL24105910 | 0.63 | ALDH1A1 (0.36) | — | |
| SCHEMBL28001622 | 0.63 | ALDH1A1 (0.46) | — | |
| SCHEMBL17930312 | 0.63 | ALDH1A1 (0.44) | — | |
| SCHEMBL25329078 | 0.63 | CA1 (0.46) | — | |
| SCHEMBL15828893 | 0.63 | L3MBTL1 (0.43) | — | |
| SCHEMBL8370932 | 0.62 | ALDH1A1 (0.44) | — |
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-107629091-B | N-heterocyclic carbene ruthenium catalyst containing electron donating group and preparation method thereof | 天津斯瑞吉高新科技研究院有限公司 | 2020-05-15 | — | — | CN | disclosed |