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 SCHEMBL8596731 | 0.71 | ACHE (0.37) | — | |
| Hydrochloric Acid SCHEMBL9251283 | 0.68 | RAB9A (0.54) | — | |
| SCHEMBL15495344 | 0.65 | QDPR (0.35) | — | |
| SCHEMBL2736499 | 0.62 | ESR1 (0.32) | — | |
| SCHEMBL2317657 | 0.60 | MAPT (0.62) | — | |
| SCHEMBL14953038 | 0.60 | PDE10A (0.47) | — | |
| Iodide SCHEMBL215354 | 0.60 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL8597182 | 0.59 | ACHE (0.35) | — | |
| SCHEMBL15632339 | 0.57 | BAD (0.42) | — | |
| SCHEMBL23067460 | 0.56 | POLB (0.68) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5726314-A | ACETYLCHOLINESTERASE INHIBITORS AS NERVE AGENT ANTIDOTES | GEORGIA TECH RESEARCH CORP. (US) | 1998-03-10 | — | — | US | disclosed |
| US-5714615-A | ACETYLCHOLINESTERASE ENZYME INHIBITOR, STIMULATE NICOTINIC RECEPTORS IN CENTRAL NERVOUS SYSTEM | GEORGIA TECH RESEARCH CORPORATION (US) | 1998-02-03 | — | — | US | disclosed |
| WO-1995021822-A1 | PYRIDINIUM COMPOUNDS | GEORGIA TECH RESEARCH CORPORATION (US) | 1995-08-17 | — | — | WO | disclosed |
| EP-0643697-A4 | QUATERNARY PYRIDINIUM COMPOUNDS. | — | 1995-04-12 | — | — | EP | disclosed |
| EP-0643697-A1 | QUATERNARY PYRIDINIUM COMPOUNDS | GEORGIA TECH RESEARCH CORPORATION (US) | 1995-03-22 | — | — | EP | disclosed |
| US-5290942-A | Acetylcholinesterase inhibitors | GEORGIA TECH RESEARCH CORPORATION (US) | 1994-03-01 | — | — | US | disclosed |
| WO-1993024459-A1 | QUATERNARY PYRIDINIUM COMPOUNDS | GEORGIA TECH RESEARCH CORPORATION (US) | 1993-12-09 | — | — | WO | disclosed |
| US-5206371-A | Acetylcholinesterase inhibitor | GEORGIA TECH RESEARCH CORPORATION (US) | 1993-04-27 | — | — | US | disclosed |
| US-5180831-A | Acetylcholinesterase Inhibitors | GEORGIA TECH RESEARCH CORPORATION (US) | 1993-01-19 | — | — | US | disclosed |