Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6894013

C1=C(C2CCCC2)C([Zr+2]2(C3C(C4CCCC4)=Cc4c(-c5c6ccccc6cc6ccccc56)cccc43)CC2)c2cccc(-c3c4ccccc4cc4ccccc34)c21.[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 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.35
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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 SCHEMBL6889597 0.99 CES1 (0.34) CES1HTR1AHTR7ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6893098 0.97 CES1 (0.34) CES1HTR1AHTR7
Hydrochloric Acid SCHEMBL6891186 0.95 CES1 (0.33) CES1HTR1AHTR7ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6892034 0.87 HTR1A (0.36) CES1HTR1AHTR7
Hydrochloric Acid SCHEMBL6891682 0.87 MTNR1A (0.32) HTR1AHTR7ALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL6894521 0.86 HTR1A (0.35) CES1HTR1AHTR7ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6888596 0.86 MTNR1A (0.32) HTR1AHTR7ALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL6886284 0.83 MTNR1A (0.32) HTR1AHTR7ALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL6889722 0.82 MTNR1A (0.31) HTR1AHTR7ALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL6895703 0.82 HTR1A (0.39) CES1HTR1AHTR7ALDH1A1HPGD

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
US-6784305-B2 DERIVATIVES OF ZIRCONOCENE DICHLORIDE IN WHICH THE TWO SUBSTITUTED INDENYL GROUPS ARE JOINED TO ONE ANOTHER VIA A BRIDGE CAN, OWING TO THEIR CONFORMATIONAL RIGIDITY, BE USED AS CATALYSTS FOR THE STEREOSPECIFIC POLYMERIZATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-08-31 US disclosed
US-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds EQUISTAR CHEMICALS, LP 2003-10-23 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-20030199703-A1 Method for producing alkyl-bridged ligand systems and transition metal compounds ABL1, ICMT, ORAI2 CES1 4779/4885HTR1A 3130/4885HTR7 3115/4885

“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.