Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1992872

CC(C)(C)N[Ti+2]1(C2C=Cc3ccccc32)CC1.[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
CHRM2 known ✓ P08172 1/20 0.30
CHRM1 known ✓ P11229 1/20 0.30
CHRM3 known ✓ P20309 1/20 0.30
SLC6A2 known ✓ P23975 1/20 0.30
SLC6A3 known ✓ Q01959 1/20 0.30
SIGMAR1 Q99720 2/20 0.31
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
DRD2 P14416 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 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 SCHEMBL5616692 0.72 GPR3 (0.33)
Hydrochloric Acid SCHEMBL721919 0.72 HTR2A (0.36) SIGMAR1KDM4ELMNATP53CHRM2
Fluoride Ion SCHEMBL1130887 0.69 HTR2A (0.36) SIGMAR1KDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL9226203 0.68 BRD4 (0.34) SIGMAR1KDM4ELMNATP53CHRM2
SCHEMBL28313710 0.66 SLC6A2 (0.35) SIGMAR1KDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL4467577 0.66 HTR2A (0.34) SIGMAR1KDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL30698296 0.66 SIGMAR1 (0.33) SIGMAR1KDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL716351 0.65
Hydrochloric Acid SCHEMBL715119 0.65 HTR6 (0.31) CYP2D6HTR2A
Hydrochloric Acid SCHEMBL31297156 0.65 SIGMAR1 (0.32) SIGMAR1KDM4ELMNATP53CHRM2

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-2011074688-A1 PRODUCTION PROCESS OF OLEFIN POLYMERIZATION CATALYST AND OLEFIN POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-06-23 WO disclosed
WO-2009116656-A1 PREPOLYMERIZATION CATALYST COMPONENT AND PROCESS FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-09-24 WO disclosed