Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6471893

CCCCCCCCC1=C([Ti+2]2(C3=C(CCCCCCCC)C=CC3)CC2)CC=C1.[Cl-].[Cl-]

nearest known ligand 0.31

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
ACHE known ✓ P22303 2/20 0.31
SLC6A2 known ✓ P23975 2/20 0.30
SLC6A3 known ✓ Q01959 2/20 0.30
CHRM2 known ✓ P08172 1/20 0.30
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
BACE1 P56817 1/20 0.31
SCD O00767 1/20 0.31
PTGS2 P35354 3/20 0.30
ESR1 P03372 2/20 0.30
ADRA2A P08913 2/20 0.30
ADORA3 P0DMS8 2/20 0.30
TACR2 P21452 2/20 0.30
SLC6A4 P31645 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
SHBG P04278 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 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 SCHEMBL6472156 1.00 ACHE (0.31) ACHEBACE1SCDPTGS2ESR1
Hydrochloric Acid SCHEMBL714270 0.93
Hydrochloric Acid SCHEMBL6470448 0.86
Hydrochloric Acid SCHEMBL6472467 0.78
Hydrochloric Acid SCHEMBL7942600 0.77 SCD (0.37) ACHEBACE1SCDPTGS2ESR1
SCHEMBL8951736 0.77 SCD (0.39) ACHEBACE1SCDPTGS2ESR1
SCHEMBL5345920 0.77 SCD (0.39) ACHEBACE1SCDPTGS2ESR1
SCHEMBL7198358 0.75 SCD (0.38) ACHEBACE1SCDPTGS2ESR1
SCHEMBL6911326 0.75 SCD (0.38) ACHEBACE1SCDPTGS2ESR1
SCHEMBL6905193 0.75 SCD (0.38) ACHEBACE1SCDPTGS2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6870015-B2 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-03-22 US disclosed
EP-1300425-A2 Catalyst component for addition polymerization, process for producing said catalyst and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-04-09 EP disclosed
US-20030060579-A1 Catalyst component for addition polymerization, process for producing catalyst for addition polymerization and process for producing addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-03-27 US disclosed