Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6015183

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=P(C2CCCCC2)(C2CCCCC2)C2CCCCC2)c(C)c1.[Cl-].[Cl-].[Ru+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 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
EBP Q15125 1/20 0.31
DHCR7 Q9UBM7 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
EPHX2 P34913 2/20 0.31
CRHR1 P34998 4/20 0.31
PSMB5 P28074 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
SCHEMBL23087150 0.95 ALDH1A1 (0.35) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL6015185 0.91 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL17836909 0.90 ALDH1A1 (0.33) ALDH1A1POLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1007240 0.85
Hydrochloric Acid SCHEMBL15333566 0.84
Hydrochloric Acid SCHEMBL1007082 0.84 TACR1 (0.31)
SCHEMBL19712595 0.82 MEN1 (0.30) CRHR1
Hydrochloric Acid SCHEMBL15135074 0.82 TAS1R3 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL4608209 0.80
SCHEMBL15333568 0.80

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1655321-B1 POLYMERIZABLE COMPOSITIONS AND MOLDED ARTICLES PRODUCED BY USING THE SAME ZEON CORP (JP) 2012-11-21 EP disclosed
EP-1655321-A1 POLYMERIZABLE COMPOSITIONS AND MOLDED ARTICLES PRODUCED BY USING THE SAME Zeon Corporation (JP) 2006-05-10 EP disclosed