Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11260256

C[N+](C)(C)C(N)c1ccccc1.[Cl-]

nearest known ligand 0.50

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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 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.48
F2 P00734 1/20 0.48
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
LMNA P02545 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 2/20 0.39

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
SCHEMBL10719054 0.97 DPP4 (0.50) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL9798045 0.79 HTR1A (0.37) DPP4F2LMNA
Hydrochloric Acid SCHEMBL27829280 0.78 DPP4 (0.41) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL27702650 0.75 DPP4 (0.42) DPP4F2ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL27575683 0.74 MEN1 (0.40) DPP4F2LMNATAAR1
Hydrochloric Acid SCHEMBL9420654 0.74 CYP1A2 (0.50) DPP4F2LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1805114 0.72 TAAR1 (0.41) DPP4F2ADRA2AADRA2CLMNA
SCHEMBL1618600 0.70 CYP1A2 (0.52) DPP4F2ADRA2AADRA2CLMNA
Ammonia Solution, Strong SCHEMBL27810169 0.70 TAAR1 (0.39) DPP4F2ADRA2AADRA2CLMNA
Hydrochloric Acid SCHEMBL27724453 0.70 LMNA (0.44) ADRA2AADRA2CLMNAHIF1AKDM4E

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
EP-0062825-A2 Water-soluble triazine compounds, their preparation and their use BAYER AG (DE) 1982-10-20 EP disclosed