Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7175505

CCc1cccc(CC)c1N=C(C)c1cccc(C(C)=Nc2c(CC)cccc2CC)n1.[Cl-].[Cl-].[Cl-].[Nd+3]

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
GABRA1 P14867 4/20 0.42
GABRB2 P47870 4/20 0.42
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 3/20 0.35
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACMSD Q8TDX5 1/20 0.35
ELANE P08246 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
OPRK1 P41145 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 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 SCHEMBL7171333 0.98 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7174457 0.98 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7177025 0.98 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7179429 0.98 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7183844 0.98 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
Hydrochloric Acid SCHEMBL7178859 0.98 GABRA1 (0.41) GABRA1GABRB2CYP1A2KDM4EALOX15
SCHEMBL4883854 0.98 GABRA1 (0.43) GABRA1GABRB2CYP1A2KDM4EALOX15
SCHEMBL4883849 0.98 GABRA1 (0.43) GABRA1GABRB2CYP1A2KDM4EALOX15
SCHEMBL5590407 0.97 GABRA1 (0.42) GABRA1GABRB2CYP1A2KDM4EALOX15
SCHEMBL4535319 0.92 CYP1A2 (0.40) GABRA1GABRB2CYP1A2KDM4EALOX15

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-1367069-A1 Process for homo-or copolymerization of conjugated diens DOW GLOBAL TECHNOLOGIES INC. (US) 2003-12-03 EP disclosed