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 | |
|---|---|---|---|---|
| Ethane SCHEMBL8636149 | 0.84 | — | — | |
| Ethane SCHEMBL8634251 | 0.84 | HTR2A (0.37) | — | |
| Hexane SCHEMBL8632251 | 0.82 | CYP3A4 (0.31) | — | |
| Hexane SCHEMBL8629479 | 0.82 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL7638820 | 0.78 | HTR2A (0.30) | — | |
| Ethane SCHEMBL8635287 | 0.74 | CYP11B1 (0.30) | — | |
| Propane SCHEMBL8628943 | 0.74 | CYP11B1 (0.30) | — | |
| Hexane SCHEMBL8633467 | 0.74 | CYP3A4 (0.31) | — | |
| Hexane SCHEMBL8634861 | 0.71 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL6727341 | 0.70 | HTR6 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5585508-A | POLYMERIZATION CATALYST FOR POLYOLEFINS | HOECHST AG (DE) | 1996-12-17 | — | — | US | claimed |