Hydrochloric Acid

Hydrochloric Acid

SCHEMBL12815856

CCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2([Ti+3])C=CC=C2)cc1.[Cl-].[Cl-].[Cl-]

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 2/20 0.36
SLC6A3 known ✓ Q01959 2/20 0.36
CHRM2 known ✓ P08172 1/20 0.36
CHRM1 known ✓ P11229 1/20 0.36
CHRM3 known ✓ P20309 1/20 0.36
ACHE known ✓ P22303 1/20 0.36
NISCH Q9Y2I1 1/20 0.41
HTR1D P28221 1/20 0.41
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
ESR1 P03372 2/20 0.36
ADRA2A P08913 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
TACR2 P21452 2/20 0.36
SLC6A4 P31645 2/20 0.36
LMNA P02545 2/20 0.36

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 SCHEMBL10318931 0.81 NISCH (0.37) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10320215 0.81 NISCH (0.37) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10319831 0.80 NISCH (0.36) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10317793 0.80 NISCH (0.36) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10319712 0.78 HSD11B1 (0.35) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10319118 0.78 SMN1; SMN2 (0.36) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10319457 0.78 NISCH (0.35) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10320586 0.78 NISCH (0.35) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10317942 0.77 ALDH1A1 (0.36) NISCHHTR1DCA2CA1ALDH1A1
Hydrochloric Acid SCHEMBL10318862 0.77 SMN1; SMN2 (0.36) NISCHHTR1DCA2CA1ALDH1A1

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
WO-2012133928-A1 TRIMERIZATION CATALYST AND METHOD FOR PRODUCING 1-HEXENE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed
WO-2012133936-A1 CATALYST FOR PRODUCING ETHYLENE-BASED POLYMER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed