Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1047049

CCCCOc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1.[Cl-]

nearest known ligand 0.54

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 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.54
CYP2D6 P10635 5/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP19A1 P11511 2/20 0.46
CYP3A4 P08684 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNA3 P22001 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PDE4A P27815 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
Bromide SCHEMBL1045380 0.97 LTA4H (0.54) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
Fluoride SCHEMBL1149915 0.95 LTA4H (0.53) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
Fluoride Ion SCHEMBL1149913 0.95 LTA4H (0.53) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL1076268 0.92 LTA4H (0.50) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL1149780 0.92 LTA4H (0.50) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL1148895 0.90 LTA4H (0.47) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
Acetic Acid SCHEMBL1047085 0.89 LTA4H (0.46) LTA4HCYP2D6CYP1A2KDM4EPDE4A
SCHEMBL3212615 0.78 LTA4H (0.63) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19
SCHEMBL2329263 0.78 LTA4H (0.57) LTA4HL3MBTL1HTT
SCHEMBL425903 0.78 LTA4H (0.63) LTA4HCYP2D6CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8530617-B2 Silicon-containing particle, process for producing the same, organic-polymer composition, ceramic, and process for producing the same DOW CORNING TORAY COMPANY, LTD. (JP) 2013-09-10 US disclosed
US-8450231-B2 Silicon-containing particles, method for manufacturing thereof, oil composition, ceramic material, and method for manufacturing thereof DOW CORNING TORAY COMPANY, LTD. (JP) 2013-05-28 US disclosed
EP-2461397-A1 ELECTRODE ACTIVE MATERIAL, ELECTRODE, AND ELECTRICITY STORAGE DEVICE Dow Corning Toray Co., Ltd. (JP) 2012-06-06 EP disclosed
US-20120121981-A1 Electrode Active Material, Electrode, And Electricity Storage Device DOW CORNING TORAY CO., LTD. (JP) 2012-05-17 US disclosed
US-20110045963-A1 Silicon-Containing Particles, Method For Manufacturing Thereof, Oil Composition, Ceramic Material, And Method For Manufacturing Thereof DOW CORNING TORAY COMPANY, LTD. (JP) 2011-02-24 US disclosed
US-20110033708-A1 Silicon-Containing Particle, Process For Producing The Same, Organic-Polymer Composition, Ceramic, And Process For Producing The Same DOW CORNING TORAY COMPANY, LTD. (JP) 2011-02-10 US disclosed
EP-2271702-A2 SILICON-CONTAINING PARTICLES, METHOD FOR MANUFACTURING THEREOF, OIL COMPOSITION, CERAMIC MATERIAL, AND METHOD FOR MANUFACTURING THEREOF Dow Corning Toray Co., Ltd. (JP) 2011-01-12 EP disclosed
EP-2241586-A1 SILICON-CONTAINING PARTICLE, PROCESS FOR PRODUCING THE SAME, ORGANIC-POLYMER COMPOSITION, CERAMIC, AND PROCESS FOR PRODUCING THE SAME Dow Corning Toray Co., Ltd. (JP) 2010-10-20 EP disclosed
WO-2009133765-A2 SILICON-CONTAINING PARTICLES, METHOD FOR MANUFACTURING THEREOF, OIL COMPOSITION, CERAMIC MATERIAL, AND METHOD FOR MANUFACTURING THEREOF DOW CORNING TORAY CO., LTD. (JP) 2009-11-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110033708-A1 Silicon-Containing Particle, Process For Producing The Same, Organic-Polymer Composition, Ceramic, And Process For Producing The Same SKP1, SPOP, SSRP1 LTA4H 1815/4885CYP2D6 4496/4885CYP1A2 2973/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.