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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
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 SCHEMBL11442403 | 0.84 | ADRB2 (0.43) | ALDH1A1MAPTPOLBTDP1ADRB2 | |
| SCHEMBL7270186 | 0.74 | ALDH1A1 (0.68) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1496497 | 0.71 | ALDH1A1 (0.70) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL15060972 | 0.71 | ALDH1A1 (0.70) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL15060886 | 0.71 | ALDH1A1 (0.70) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL1496777 | 0.71 | GAA (0.63) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL28531533 | 0.70 | ALDH1A1 (0.64) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL17763340 | 0.70 | MEN1 (0.61) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| SCHEMBL11569325 | 0.70 | ALDH1A1 (0.63) | ALDH1A1GAASMN1; SMN2MEN1KMT2A | |
| Ammonia Solution, Strong SCHEMBL11662415 | 0.70 | GAA (0.62) | ALDH1A1GAASMN1; SMN2MEN1KMT2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4206144-A | N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | disclosed |
| US-4146558-A | Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group | STERLING DRUG INC. (US) | 1979-03-27 | — | — | US | disclosed |
| US-4103092-A | Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs | STERLING DRUG INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4065500-A | Water-soluble quaternary ammonium azo dyestuffs | STERLING DRUG INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-3996282-A | Water-soluble quaternary ammonium dyestuffs | STERLING DRUG INC. (US) | 1976-12-07 | — | — | US | disclosed |
| US-3935182-A | Water-soluble quaternary ammonium heterocyclic azo dyestuffs | STERLING DRUG INC. (US) | 1976-01-27 | — | — | US | disclosed |