Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1115906

CCCCCCCCC1=C([Ti+2]C2c3ccccc3-c3ccccc32)CC=C1.[Cl-].[Cl-]

nearest known ligand 0.35

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
ACHE known ✓ P22303 1/20 0.35
SLC6A2 known ✓ P23975 1/20 0.33
BCHE P06276 1/20 0.35
CYP2D6 P10635 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
PTPN1 P18031 1/20 0.33
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
SETD7 Q8WTS6 1/20 0.32
GPR3 P46089 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
CNR1 P21554 1/20 0.31
LIPG Q9Y5X9 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 SCHEMBL1115760 1.00 BCHE (0.35) BCHEACHECYP2D6DRD2SLC6A2
Hydrochloric Acid SCHEMBL1115876 0.95 BCHE (0.37) BCHEACHE
Hydrochloric Acid SCHEMBL1116209 0.89 BCHE (0.33) BCHEACHE
Hydrochloric Acid SCHEMBL1115786 0.88 BCHE (0.33) BCHEACHE
Hydrochloric Acid SCHEMBL1115927 0.81 CYP2D6 (0.31) CYP2D6DRD2SLC6A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL1116096 0.81 CYP2D6 (0.31) CYP2D6DRD2SLC6A2HTR2AHTR2C
Hydrochloric Acid SCHEMBL1115862 0.76 BCHE (0.35) BCHEACHECYP2D6DRD2SLC6A2
Hydrochloric Acid SCHEMBL1116200 0.76 BCHE (0.35) BCHEACHECYP2D6DRD2SLC6A2
Hydrochloric Acid SCHEMBL1116120 0.76 ACHE (0.33) ACHESLC6A2HTR2AHTR2CSLC6A4
Hydrochloric Acid SCHEMBL1116203 0.76 ACHE (0.33) ACHESLC6A2HTR2AHTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065876-A1 ALUMINUM PHENOXIDE COMPOUND AND PROCESS FOR PRODUCING STABILIZED POLYMER BY USING THE SAME ADEKA CORPORATION (JP) 2011-03-17 US disclosed
EP-2281825-A1 ALUMINUM PHENOXIDES AND PROCESS FOR PRODUCTION OF STABILIZED POLYMERS BY USING THE ALUMINUM PHENOXIDES Adeka Corporation (JP) 2011-02-09 EP disclosed
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

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-20110065876-A1 ALUMINUM PHENOXIDE COMPOUND AND PROCESS FOR PRODUCING STABILIZED POLYMER BY USING THE SAME ALOX12, ALOX5AP, ALOX5 ACHE 2977/4885SLC6A2 2012/4885BCHE 4447/4885

“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.