Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7180301

[Cl-].[Cl-].[V+2].c1ccc(Cn2ccnc2-c2cccc(-c3nccn3Cc3ccccc3)n2)cc1

nearest known ligand 0.60

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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 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.57
BRD4 O60885 2/20 0.49
LIMK2 P53671 1/20 0.48
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
HSP90AA1 P07900 1/20 0.43
FDPS P14324 1/20 0.43
OPRD1 P41143 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TNF P01375 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL1046749 0.98 HSD17B10 (0.59) HSD17B10BRD4LIMK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7176914 0.97 HSD17B10 (0.57) HSD17B10BRD4LIMK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7175511 0.97 HSD17B10 (0.57) HSD17B10BRD4LIMK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7176860 0.97 HSD17B10 (0.57) HSD17B10BRD4LIMK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7172278 0.97 HSD17B10 (0.57) HSD17B10BRD4LIMK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7177551 0.97 HSD17B10 (0.57) HSD17B10BRD4LIMK2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL7171378 0.97 HSD17B10 (0.57) HSD17B10BRD4LIMK2ALDH1A1MEN1
SCHEMBL2839207 0.85 HSD17B10 (0.59) HSD17B10BRD4LIMK2ALDH1A1MEN1
SCHEMBL17621 0.81 HSD17B10 (0.62) HSD17B10BRD4LIMK2ALDH1A1MEN1
Fluoride SCHEMBL10339918 0.79 HSD17B10 (0.60) HSD17B10BRD4LIMK2ALDH1A1MEN1

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