Hydrochloric Acid

Hydrochloric Acid

SCHEMBL15967972

C=CC(=O)OCC(C)[N+](C)(C)Cc1ccccc1.[Cl-]

nearest known ligand 0.46

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
TSHR P16473 4/20 0.46
THRB P10828 2/20 0.42
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HCAR2 Q8TDS4 2/20 0.35
ALPL P05186 1/20 0.35
POLB P06746 1/20 0.35
ALPG P10696 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
TGM2 P21980 1/20 0.33
PTGS2 P35354 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.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL1683544 0.82 ALDH1A1 (0.40) TSHRTHRBALDH1A1KDM4ETDP1
SCHEMBL2743760 0.80 TSHR (0.41) TSHRTHRBALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL2831036 0.80 TSHR (0.38) TSHRTHRBALDH1A1KDM4ETDP1
Fluoride Ion SCHEMBL29161106 0.79 TSHR (0.40) TSHRTHRBALDH1A1KDM4ETDP1
Iodide SCHEMBL29161127 0.79 TSHR (0.40) TSHRTHRBALDH1A1KDM4ETDP1
Bromide SCHEMBL28360563 0.79 TSHR (0.40) TSHRTHRBALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL27707282 0.78 THRB (0.45) TSHRTHRBALDH1A1KDM4ETDP1
Hydrochloric Acid SCHEMBL28311399 0.77 ALDH1A1 (0.38) TSHRTHRBALDH1A1KDM4ETDP1
SCHEMBL5467970 0.77 TSHR (0.51) TSHRTHRBALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL16020739 0.76 TSHR (0.55) TSHRTHRBALDH1A1CYP3A4LMNA

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
US-20140242195-A1 AUTOMOTIVE SURFACE CONDITIONING SYSTEM AMERICAN COVERS, INC. (US) 2014-08-28 US disclosed
WO-2014130369-A1 AUTOMOTIVE SURFACE CONDITIONING SYSTEM AMERICAN COVERS, INC. (US) 2014-08-28 WO disclosed