Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5616347

CC1=C2c3c(-c4ccccc4)cccc3C1[Ti+2]C1C(C)=C(c3c(-c4ccccc4)cccc31)C2(C)C.[Cl-].[Cl-]

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 16)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
HTR2B P41595 3/20 0.32
TMEM97 Q5BJF2 3/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
BRD4 O60885 1/20 0.31
HNF4A P41235 1/20 0.31
EDNRB P24530 3/20 0.30
EDNRA P25101 3/20 0.30
FABP3 P05413 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 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 SCHEMBL5616436 0.80 ALDH1A1 (0.31) ALDH1A1
Hydrochloric Acid SCHEMBL5616232 0.78 HTR1A (0.34) PDCD1CD274HTR2BTMEM97HTR1A
SCHEMBL7599191 0.77 HTR1A (0.34) PDCD1CD274HTR2BTMEM97HTR1A
SCHEMBL7602972 0.77 PDCD1 (0.34) PDCD1CD274HTR2BTMEM97HTR1A
Hydrochloric Acid SCHEMBL1775471 0.77 PDCD1 (0.31) PDCD1CD274HNF4AEDNRBEDNRA
Hydrochloric Acid SCHEMBL5616377 0.73 BRD4 (0.31) BRD4
SCHEMBL797644 0.70 GCGR (0.34) PDCD1CD274
SCHEMBL797526 0.70 GCGR (0.34) PDCD1CD274HTR2BTMEM97HTR1A
Hydrochloric Acid SCHEMBL6047511 0.66 HTR1A (0.31) HTR2BTMEM97HTR1AHTR7SIGMAR1
SCHEMBL7602016 0.66 HTR1A (0.33) HTR2BTMEM97HTR1AHTR7SIGMAR1

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
WO-2007023618-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-01 WO disclosed