Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5616232

CC1=C2CCC3=C(C)C([Ti+2]C1c1cccc(-c4ccccc4)c12)c1cccc(-c2ccccc2)c13.[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 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
DRD2 P14416 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP11B2 P19099 2/20 0.32
BRD4 O60885 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
HNF4A P41235 1/20 0.32
HTR2B P41595 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
EDNRB P24530 3/20 0.31
EDNRA P25101 3/20 0.31
FABP3 P05413 1/20 0.31

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 SCHEMBL217236 0.79 PARP10 (0.35) HTR1AHTR7DRD2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL217523 0.79 HTR1A (0.36) HTR1AHTR7DRD2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL5616595 0.79 ADRA2C (0.33) CYP11B2CYP17A1CYP19A1CYP11B1ADRA2C
Hydrochloric Acid SCHEMBL1775471 0.78 PDCD1 (0.31) CHRNB2CHRNA4PDCD1CD274HNF4A
Hydrochloric Acid SCHEMBL5616347 0.78 PDCD1 (0.34) HTR1AHTR7CHRNB2CHRNA4BRD4
SCHEMBL3672615 0.78 HTR1A (0.35) HTR1AHTR7DRD2CHRNB2CHRNA4
SCHEMBL5345743 0.77 HTR1A (0.34) HTR1AHTR7DRD2CHRNB2CHRNA4
SCHEMBL7599331 0.77 HTR1A (0.34) HTR1AHTR7DRD2CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL6248017 0.75 FAAH (0.32) HTR2B
SCHEMBL5354721 0.72 HTR1A (0.33) HTR1AHTR7DRD2CHRNB2CHRNA4

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