Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28129149

C=C(C)C(=O)OCCCC(CC)(c1ccccc1)[N+](C)(C)C.[Cl-]

nearest known ligand 0.42

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
CHRM2 known ✓ P08172 3/20 0.36
CHRM1 known ✓ P11229 3/20 0.36
CHRM3 known ✓ P20309 2/20 0.36
SLC6A3 known ✓ Q01959 1/20 0.34
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 3/20 0.42
SCN1A P35498 3/20 0.38
SCN2A Q99250 3/20 0.38
SCN3A Q9NY46 3/20 0.38
THRB P10828 1/20 0.37
CHRM4 P08173 1/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
KCNH2 Q12809 1/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL17320926 0.80 TDP1 (0.49) POLBAPEX1HTTTDP1TSHR
SCHEMBL3101729 0.78 TDP1 (0.47) POLBAPEX1HTTTDP1TSHR
SCHEMBL1325115 0.75 TSHR (0.45) POLBAPEX1HTTTDP1TSHR
SCHEMBL15404816 0.75 TDP1 (0.45) POLBAPEX1HTTTDP1TSHR
SCHEMBL7872447 0.74 TDP1 (0.44) POLBAPEX1HTTTDP1TSHR
SCHEMBL28552216 0.74 POLB (0.44) POLBAPEX1HTTTDP1TSHR
Hydrochloric Acid SCHEMBL28021051 0.73 MEN1 (0.40) HTTCHRM2CHRM1CHRM3CHRM4
SCHEMBL24312367 0.73 TDP1 (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL28173347 0.73 TDP1 (0.51) POLBAPEX1HTTTDP1TSHR
Hydrochloric Acid SCHEMBL7024126 0.73 CHRM1 (0.44) POLBAPEX1HTTTDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105199530-B Super-hydrophilic polyacrylamide coating and preparation method thereof 中国科学院理化技术研究所 2017-06-06 CN claimed