Hydrochloric Acid

Hydrochloric Acid

SCHEMBL30093040

C=Cc1ccc(C[S+](C)C)cc1.[Cl-]

nearest known ligand 0.48

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 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CA1 P00915 3/20 0.35
CA2 P00918 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
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
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
POLB P06746 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL30200215 0.98 ALDH1A1 (0.50) ALDH1A1TSHRHDAC8CA1CA2
Hydrochloric Acid SCHEMBL8990690 0.81 KDM4E (0.32) ALDH1A1TDP1
SCHEMBL30200152 0.77 ALDH1A1 (0.46) ALDH1A1TSHRHDAC8CA1CA2
Hydrochloric Acid SCHEMBL115619 0.74 ALDH1A1 (0.52) ALDH1A1TSHRHDAC8CA1CA2
Butane SCHEMBL28268770 0.73 ALDH1A1 (0.69) ALDH1A1TSHRHDAC8CA1CA2
SCHEMBL8720270 0.72
SCHEMBL15915 0.72 ALDH1A1 (0.58) ALDH1A1TSHRHDAC8CA1CA2
SCHEMBL13109192 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHDAC8CA1CA2
SCHEMBL1119853 0.71 ALDH1A1 (0.50) ALDH1A1TSHRHDAC8CA1CA2
Hydrochloric Acid SCHEMBL419353 0.71 CHRNA7 (0.50) ALDH1A1TSHRHDAC8CA1CA2

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-113088856-B Deep eutectic solvent hot galvanizing additive and preparation method and application thereof 江西科技师范大学 2022-12-23 CN disclosed