Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7180858

CCn1c(-c2cccc(-c3nc4ccccc4n3CC)n2)nc2ccccc21.[Cl-].[Cl-].[Cl-].[Nd+3]

nearest known ligand 0.57

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
ALDH1A1 P00352 9/20 0.57
KDM4E B2RXH2 8/20 0.57
HPGD P15428 7/20 0.57
MAPT P10636 5/20 0.56
HTT P42858 4/20 0.56
HSD17B10 Q99714 3/20 0.56
RCE1 Q9Y256 1/20 0.56
TP53 P04637 1/20 0.56
MEN1 O00255 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
KMT2A Q03164 3/20 0.55
CYP1A2 P05177 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
GFER P55789 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP2D6 P10635 1/20 0.54

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 SCHEMBL7172465 0.97 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7176679 0.97 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7178412 0.97 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7178576 0.97 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7176647 0.97 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7171322 0.97 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7173379 0.88 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL13351524 0.86 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7177348 0.85 TP53 (0.60) ALDH1A1KDM4EHPGDMAPTHTT
Hydrochloric Acid SCHEMBL7175705 0.84 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTHTT

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