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.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HRH1 | P35367 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL9148122 | 0.68 | XDH (0.60) | KDM4ESMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL8596731 | 0.63 | ACHE (0.37) | ACHETSHRHRH1PDE4DKDM4E | |
| SCHEMBL13496569 | 0.63 | ALDH1A1 (0.64) | SMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL5215373 | 0.63 | ALDH1A1 (0.64) | SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL4843487 | 0.61 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL4843501 | 0.61 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL8600472 | 0.59 | — | — | |
| SCHEMBL23837627 | 0.57 | MEN1 (0.55) | TSHRKDM4ESMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL2313381 | 0.57 | MEN1 (0.55) | TSHRKDM4ESMN1; SMN2ALDH1A1MAPT | |
| SCHEMBL18372473 | 0.57 | AMY1A (0.53) | KDM4EALDH1A1MAPT |
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 |