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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | MAOB | P27338 | 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 SCHEMBL15328966 | 0.86 | PSMD14 (0.43) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL4897127 | 0.79 | ACHE (0.40) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| Hydrochloric Acid SCHEMBL4900318 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3626967 | 0.77 | ALDH1A1 (0.48) | ALDH1A1TAAR1HRH1HTR2ACYP1A2 | |
| SCHEMBL3626001 | 0.76 | MAOA (0.54) | ALDH1A1HRH1HTR2AMAOAMAOB | |
| SCHEMBL18334181 | 0.76 | ALDH1A1 (0.53) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL3627116 | 0.74 | MAOA (0.52) | ALDH1A1HRH1HTR2AMAOAMAOB | |
| SCHEMBL21285258 | 0.74 | MAOA (0.52) | ALDH1A1HRH1HTR2AMAOAMAOB | |
| SCHEMBL17862157 | 0.74 | ALDH1A1 (0.37) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 | |
| SCHEMBL4159449 | 0.73 | ALDH1A1 (0.39) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111454205-B | Method for synthesizing pyridine-N-oxide by catalytic oxidation through continuous non-solvent method | 山东明化新材料有限公司 | 2022-03-29 | — | — | CN | claimed |
| CN-111454205-A | Method for synthesizing pyridine-N-oxide by catalytic oxidation through continuous non-solvent method | 山东明化新材料有限公司 | 2020-07-28 | — | — | CN | claimed |
| CN-111454205-B | Method for synthesizing pyridine-N-oxide by catalytic oxidation through continuous non-solvent method | 山东明化新材料有限公司 | 2022-03-29 | — | — | CN | disclosed |
| CN-111454205-A | Method for synthesizing pyridine-N-oxide by catalytic oxidation through continuous non-solvent method | 山东明化新材料有限公司 | 2020-07-28 | — | — | CN | disclosed |