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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.51 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.51 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.51 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.51 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.53 |
| ▸ | GMNN | O75496 | 4/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.53 |
| ▸ | POLB | P06746 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | APEX1 | P27695 | 4/20 | 0.53 |
| ▸ | RECQL | P46063 | 4/20 | 0.53 |
| ▸ | BLM | P54132 | 4/20 | 0.53 |
| ▸ | PMP22 | Q01453 | 4/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.53 |
| ▸ | TP53 | P04637 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL2335924 | 0.80 | PRKCA (0.55) | MEN1KMT2ANPSR1GMNNLMNA | |
| Hydrochloric Acid SCHEMBL9789749 | 0.77 | MEN1 (0.89) | MEN1KMT2ANPSR1GMNNLMNA | |
| Hydrochloric Acid SCHEMBL32681974 | 0.77 | MEN1 (0.89) | MEN1KMT2ANPSR1GMNNLMNA | |
| SCHEMBL19490053 | 0.75 | PRKCA (0.88) | MEN1KMT2ANPSR1GMNNLMNA | |
| Laurolinium SCHEMBL29388527 | 0.75 | PRKCA (0.88) | MEN1KMT2ANPSR1GMNNLMNA | |
| Iodide SCHEMBL2337776 | 0.74 | PRKCA (0.89) | MEN1KMT2ANPSR1GMNNLMNA | |
| Iodide SCHEMBL2331911 | 0.71 | PRKCA (0.83) | MEN1KMT2ANPSR1GMNNLMNA | |
| Bromide SCHEMBL28887641 | 0.71 | PRKCA (0.80) | MEN1KMT2ANPSR1GMNNLMNA | |
| Dequalinium SCHEMBL34043 | 0.70 | MEN1 (1.00) | MEN1KMT2ANPSR1GMNNLMNA | |
| Dequalinium SCHEMBL2544854 | 0.70 | MEN1 (1.00) | MEN1KMT2ANPSR1GMNNLMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3528632-A1 | REDUCED INHALATION HAZARD OF QUATERNARY AMMONIUM COMPOUNDS-pH DRIVEN PHYSIOLOGICAL RESPONSE | Ecolab USA Inc. (US) | 2019-08-28 | — | — | EP | disclosed |
| EP-3422850-A1 | SANITIZING RINSE BASED ON QUAT-ANIONIC SURFACTANT SYNERGY | Ecolab USA Inc. (US) | 2019-01-09 | — | — | EP | disclosed |
| WO-2018160818-A1 | REDUCED INHALATION HAZARD SANITIZERS AND DISINFECTANTS VIA HIGH MOLECULAR WEIGHT POLYMERS | ECOLAB USA INC. (US) | 2018-09-07 | — | — | WO | disclosed |
| WO-2018075089-A1 | REDUCED INHALATION HAZARD OF QUATERNARY AMMONIUM COMPOUNDS-pH DRIVEN PHYSIOLOGICAL RESPONSE | ECOLAB USA INC. (US) | 2018-04-26 | — | — | WO | disclosed |
| EP-2766336-A1 | PROCESS FOR PREPARING ALKOXY ARYL ESTER | Saudi Basic Industries Corporation (SA) | 2014-08-20 | — | — | EP | disclosed |
| EP-2744518-A2 | USE OF SMALL MOLECULES IN METHODS FOR PURIFICATION OF BIOMOLECULES | EMD Millipore Corporation (US) | 2014-06-25 | — | — | EP | disclosed |
| WO-2013053455-A1 | PROCESS FOR PREPARING ALKOXY ARYL ESTER | SAUDI BASIC INDUSTRIES CORPORATION (SABIC) (SA) | 2013-04-18 | — | — | WO | disclosed |
| WO-2013028334-A2 | USE OF SMALL MOLECULES IN METHODS FOR PURIFICATION OF BIOMOLECULES | EMD MILLIPORE CORPORATION (US) | 2013-02-28 | — | — | WO | disclosed |