Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7178932

C/C(=N\c1c(C)cccc1C)c1cccc(/C(C)=N/c2c(C)cccc2C)n1.[Cl-].[Cl-].[Cl-].[V+3]

nearest known ligand 0.40

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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 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40
GRIN2B Q13224 2/20 0.40
GRIN2C Q14957 2/20 0.40
GRIN3A Q8TCU5 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
HSP90AA1 P07900 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CYP1A2 P05177 1/20 0.34
PAX8 Q06710 1/20 0.34
PLAU P00749 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 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 SCHEMBL7178276 1.00 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7172321 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7171227 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7173393 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7174711 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL6913575 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1685878 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL7181519 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL1049917 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL29753982 0.96 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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