Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8917415

[Cl-].[Cl-].[Zr+2].c1ccc2c(c1)Cc1c(CCc3c(-c4cccc5ccccc45)ccc4c3Cc3cc(-c5cccc6ccccc56)ccc3-4)cccc1-2

nearest known ligand 0.41

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
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
PNMT P11086 1/20 0.41
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
MCL1 Q07820 3/20 0.34
ACMSD Q8TDX5 1/20 0.34
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
HTR7 P34969 3/20 0.32
HTR1A P08908 2/20 0.32
GPR84 Q9NQS5 1/20 0.30
SLC6A4 P31645 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HIF1A Q16665 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 SCHEMBL8915892 0.92 MCL1 (0.36) PNMTMCL1ACMSDHTR7HTR1A
SCHEMBL27950640 0.77 MAPT (0.49) MCL1ACMSDMMP12MMP13SLC6A2
SCHEMBL29009022 0.76 CA12 (0.38) MCL1ACMSDMMP12MMP13SLC6A2
SCHEMBL29009007 0.76 CA12 (0.40) MCL1ACMSDMMP12MMP13CYP1A2
Hydrochloric Acid SCHEMBL5348072 0.75 PNMT (0.68) PNMTDRD2DRD4DRD3HTR7
Hydrochloric Acid SCHEMBL27463386 0.75 MCL1 (0.38) MCL1ACMSDHTR7HTR1AGPR84
Hydrochloric Acid SCHEMBL27551952 0.75 MCL1 (0.38) MCL1ACMSDHTR7HTR1AGPR84
SCHEMBL3137217 0.74 MCL1 (0.47) MCL1ACMSDCYP2C9CYP2C19KDM4E
SCHEMBL29785059 0.74 MCL1 (0.47) MCL1ACMSDCYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL9245137 0.72 PNMT (0.68) PNMTDRD2DRD4DRD3HTR7

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
US-5668230-A METALLOCENE WITH ETHYLENE BRIDGED FLUORENE UNITS, ALUMOXANE COCATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-09-16 US claimed