Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7180794

CCCCc1cc(CCCC)c(N=Cc2cccc(C=Nc3c(CCCC)cc(CCCC)cc3CCCC)n2)c(CCCC)c1.[Cl-].[Cl-].[Co+2]

nearest known ligand 0.34

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
TLR8 Q9NR97 4/20 0.34
CYP3A4 P08684 4/20 0.33
CYP2D6 P10635 4/20 0.33
CYP2C9 P11712 4/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPV1 Q8NER1 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32
MAPK1 P28482 2/20 0.31
HTT P42858 2/20 0.31
KCNH2 Q12809 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
APAF1 O14727 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 SCHEMBL7178938 0.97 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL7176465 0.97 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL7178360 0.97 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL7172327 0.97 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL7182434 0.97 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL7176484 0.97 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9L3MBTL1
Hydrochloric Acid SCHEMBL7176690 0.89 TLR8 (0.34) TLR8CYP3A4CYP2D6CYP2C9KCNH2
Hydrochloric Acid SCHEMBL7179167 0.89 MEN1 (0.32)
Hydrochloric Acid SCHEMBL7181337 0.89 CYP3A4 (0.39) TLR8CYP3A4CYP2D6CYP2C9CYP1A2
Hydrochloric Acid SCHEMBL7178913 0.86 MAPK1 (0.34) TLR8CYP3A4CYP2D6CYP2C9CYP1A2

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