Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6895151

CC(C)(C)C1=Cc2c(-c3ccccc3)cccc2C1[Zr+2]1(C2C(C(C)(C)C)=Cc3c(-c4ccccc4)cccc32)CC1.[Cl-].[Cl-]

nearest known ligand 0.33

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 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HTR1A P08908 2/20 0.31
HTR7 P34969 2/20 0.31
HTR2B P41595 2/20 0.31
TMEM97 Q5BJF2 2/20 0.31
SIGMAR1 Q99720 2/20 0.31
BRD4 O60885 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 SCHEMBL6893101 0.95 CHRNB2 (0.30) CHRNB2CHRNA4HTR1AHTR7HTR2B
Hydrochloric Acid SCHEMBL6892494 0.90
Hydrochloric Acid SCHEMBL6893343 0.90 BRD4 (0.34) BRD4
Hydrochloric Acid SCHEMBL6892040 0.86 EDNRB (0.32)
Hydrochloric Acid SCHEMBL6893825 0.86 BRD4 (0.32) BRD4
Hydrochloric Acid SCHEMBL6892092 0.86 CYP11B1 (0.33) SIGMAR1
Hydrochloric Acid SCHEMBL6892793 0.86 CYP3A4 (0.35) HTR1AHTR7
Hydrochloric Acid SCHEMBL6892926 0.86 RXRA (0.30)
Hydrochloric Acid SCHEMBL6889645 0.85
Hydrochloric Acid SCHEMBL6890861 0.85 BRD4 (0.33) BRD4

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 CHRNB2 3083/4885CHRNA4 2408/4885HTR1A 3130/4885

“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.