Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7173558

CCCCc1cc(CCCC)c(N=C(C)c2cc(C)cc(C(C)=Nc3c(CCCC)cc(CCCC)cc3CCCC)n2)c(CCCC)c1.[Cl-].[Cl-].[Cl-].[V+3]

nearest known ligand 0.36

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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 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 3/20 0.31
CYP3A4 P08684 1/20 0.31
TLR8 Q9NR97 1/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30

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 SCHEMBL7176612 0.97 MAPK1 (0.36) MAPK1RAB9AHTTNPC1HPGD
Hydrochloric Acid SCHEMBL7175589 0.97 MAPK1 (0.36) MAPK1RAB9AHTTNPC1HPGD
Hydrochloric Acid SCHEMBL7176580 0.97 MAPK1 (0.36) MAPK1RAB9AHTTNPC1HPGD
Hydrochloric Acid SCHEMBL7172230 0.97 MAPK1 (0.36) MAPK1RAB9AHTTNPC1HPGD
Hydrochloric Acid SCHEMBL7179084 0.97 MAPK1 (0.36) MAPK1RAB9AHTTNPC1HPGD
Hydrochloric Acid SCHEMBL7180919 0.93 NOS2 (0.36) HTTNOS2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7185415 0.91 NOS2 (0.36) HTTNOS2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7177918 0.91 NOS2 (0.36) HTTNOS2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7183835 0.91 NOS2 (0.36) HTTNOS2SMN1; SMN2ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7172334 0.91 NOS2 (0.36) HTTNOS2SMN1; SMN2ALDH1A1MAPT

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