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 | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.31 |
| ▸ | POLB | P06746 | 3/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.62 |
| ▸ | RAB9A | P51151 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | SLC19A2 | O60779 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1827048 | 0.98 | POLB (0.64) | POLBSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL29724058 | 0.98 | POLB (0.64) | POLBSMN1; SMN2NPC1RAB9AKMT2A | |
| Bromide SCHEMBL11433371 | 0.96 | POLB (0.68) | POLBSMN1; SMN2NPC1RAB9AKMT2A | |
| Sulfuric Acid SCHEMBL7056944 | 0.87 | POLB (0.53) | POLBSMN1; SMN2NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL556407 | 0.81 | SMN1; SMN2 (0.64) | POLBSMN1; SMN2NPC1RAB9AKMT2A | |
| Hydrochloric Acid SCHEMBL11737399 | 0.81 | SMN1; SMN2 (0.64) | POLBSMN1; SMN2NPC1RAB9AKMT2A | |
| SCHEMBL3592351 | 0.78 | NPC1 (0.96) | POLBSMN1; SMN2NPC1RAB9ABCHE | |
| SCHEMBL3600997 | 0.78 | NPC1 (0.96) | POLBSMN1; SMN2NPC1RAB9ABCHE | |
| SCHEMBL3598215 | 0.78 | NPC1 (0.96) | POLBSMN1; SMN2NPC1RAB9ABCHE | |
| SCHEMBL3603641 | 0.78 | NPC1 (0.96) | POLBSMN1; SMN2NPC1RAB9ABCHE |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107427869-B | Heavy metal fixing agent for treating ash and method for treating ash using same | 栗田工业株式会社 | 2021-02-02 | — | — | CN | disclosed |
| WO-2017103038-A2 | COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING A STYRYL OR NAPHTHYLAMIDE DIRECT DYE BEARING A HYDROXYALKYL FUNCTION, DYEING PROCESS AND DYE | L'OREAL (FR) | 2017-06-22 | — | — | WO | disclosed |
| EP-1264825-A1 | Beta-Hydroxyalkylpicoliniumsalts | Bayer Aktiengesellschaft (DE) | 2002-12-11 | — | — | EP | disclosed |
| US-5840902-A | REACTING PICOLINE WITH ALKYLENE OXIDE IN PRESENCE OF ACID IN WATER OR MIXTURE OF WATER AND POLAR SOLVENT | BAYER AKTIENGESELLSCHAFT (DE) | 1998-11-24 | — | — | US | disclosed |
| EP-0776888-A2 | Process for the preparation of beta-Hydrosyalkylpicolinium salts and picolinium salts as intermediates for the prepation of cationic dyes | BAYER AG (DE) | 1997-06-04 | — | — | EP | disclosed |
| US-4558133-A | p-(Pyridinium-vinyl)-N,N-(disubstituted-aniline salts for dyeing paper and their preparation | BAYER AKTIENGESELLSCHAFT (DE) | 1985-12-10 | — | — | US | disclosed |
| EP-0037491-B1 | DIMETHINIC DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING SYNTHETIC AND NATURAL MATERIALS | BAYER AG (DE) | 1984-02-08 | — | — | EP | disclosed |
| EP-0023991-B1 | STYRYL DYESTUFFS, THEIR PREPARATION AND THEIR USE IN DYEING PAPER IN PARTICULAR | BAYER AG (DE) | 1983-07-27 | — | — | EP | disclosed |
| US-4366314-A | STYRYL DYE | BAYER AKTIENGESELLSCHAFT (DE) | 1982-12-28 | — | — | US | disclosed |
| EP-0037491-A2 | Dimethinic dyestuffs, their preparation and their use in dyeing synthetic and natural materials | BAYER AG (DE) | 1981-10-14 | — | — | EP | disclosed |
| EP-0023991-A1 | Styryl dyestuffs, their preparation and their use in dyeing paper in particular | BAYER AG (DE) | 1981-02-18 | — | — | EP | disclosed |
| US-4017486-A | Cationic alpha-cyano-p-dimethylaminocinnamoyl dyes and paper dyed therewith | AMERICAN CYANAMID COMPANY (US) | 1977-04-12 | — | — | US | disclosed |