Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28340565

C=CC(=O)OCC[N+](C)(CC)CCCCCCCC.[Cl-]

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

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)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 3/20 0.44
CHRM2 known ✓ P08172 1/20 0.36
CHRM1 known ✓ P11229 1/20 0.36
CHRM3 known ✓ P20309 1/20 0.36
SLC6A2 known ✓ P23975 1/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.36
TSHR P16473 8/20 0.56
HPGD P15428 1/20 0.56
ALDH1A1 P00352 3/20 0.47
CYP3A4 P08684 1/20 0.47
HCAR2 Q8TDS4 3/20 0.43
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ATM Q13315 1/20 0.39
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.37
MLNR O43193 1/20 0.36

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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29078785 1.00 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL29107051 0.98 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4ACHE
Bromide SCHEMBL30490647 0.97 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ACHE
Bromide SCHEMBL29125664 0.97 TSHR (0.56) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL29974376 0.92 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL29106977 0.91 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ACHE
Hydrochloric Acid SCHEMBL30734085 0.88 TSHR (0.64) TSHRHPGDALDH1A1CYP3A4ACHE
SCHEMBL13719604 0.86 TSHR (0.65) TSHRHPGDALDH1A1CYP3A4ACHE
Hydrochloric Acid SCHEMBL2733907 0.86 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4ACHE
Hydrochloric Acid SCHEMBL7619758 0.85 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110606921-B Cationic fluorine-containing soap-free emulsion, and preparation method and application thereof 浙江省化工研究院有限公司 2021-10-15 CN disclosed
CN-110606921-A Cationic fluorine-containing soap-free emulsion, and preparation method and application thereof 浙江省化工研究院有限公司 2019-12-24 CN disclosed