Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28825239

C=Cc1c(CCCCC)cccc1[N+](C)(C)C.[Cl-]

nearest known ligand 0.40

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
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37
KAT8 Q9H7Z6 2/20 0.37
SAE1 Q9UBE0 2/20 0.37
PPARA Q07869 2/20 0.37
PPARG P37231 1/20 0.37
EP300 Q09472 1/20 0.37
KAT2A Q92830 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT5 Q92993 1/20 0.37
F7 P08709 3/20 0.35
F3 P13726 3/20 0.35
MMP2 P08253 2/20 0.35

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
SCHEMBL12802010 0.83 LIPG (0.48) THRATHRBLIPGALOX5PTGS2
SCHEMBL12802299 0.81 LIPG (0.52) THRATHRBLIPGALOX5PTGS2
Hydrochloric Acid SCHEMBL2898929 0.78 LIPG (0.53) THRATHRBLIPGALOX5PTGS2
Hydrochloric Acid SCHEMBL11542002 0.78 LIPG (0.53) THRATHRBLIPGALOX5PTGS2
Hydrochloric Acid SCHEMBL28853938 0.78 LIPG (0.53) THRATHRBLIPGALOX5PTGS2
Hydrochloric Acid SCHEMBL5072856 0.78 LIPG (0.53) THRATHRBLIPGALOX5PTGS2
Hydrochloric Acid SCHEMBL28880990 0.78 LIPG (0.53) THRATHRBLIPGALOX5PTGS2
SCHEMBL12802233 0.77 CYP3A4 (0.42) THRATHRBLIPGALOX5PTGS2
SCHEMBL21055952 0.77 LIPG (0.43) THRATHRBLIPGALOX5PTGS2
SCHEMBL2904403 0.76 LIPG (0.55) THRATHRBLIPGALOX5PTGS2

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-105339440-A Inks FUJIFILM IMAGING COLORANTS INC 2016-02-17 CN disclosed
CN-105339444-A Printing method FUJIFILM IMAGING COLORANTS INC 2016-02-17 CN disclosed