Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6895023

CC(C)(C)C1=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc2C1[Zr+2]1(C2C(C(C)(C)C)=Cc3c(-c4ccc(C(F)(F)F)cc4)cccc32)C2CCCCC21.[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
GABBR2 O75899 3/20 0.33
GABBR1 Q9UBS5 3/20 0.33
CYP11B1 P15538 4/20 0.32
CYP11B2 P19099 4/20 0.32
DRD2 P14416 1/20 0.31
CACNA1B Q00975 2/20 0.31
CYP3A4 P08684 1/20 0.30
PTGS2 P35354 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 SCHEMBL6891538 0.92 BRD4 (0.32)
Hydrochloric Acid SCHEMBL6893518 0.87
Hydrochloric Acid SCHEMBL6888391 0.87 HTR1A (0.32) CYP11B2PTGS2
Hydrochloric Acid SCHEMBL6891514 0.86 GABBR2 (0.36) GABBR2GABBR1CYP11B1CYP11B2DRD2
Hydrochloric Acid SCHEMBL6885879 0.86 DRD2 (0.35) GABBR2GABBR1CYP11B1CYP11B2DRD2
Hydrochloric Acid SCHEMBL6891548 0.85 CYP11B1 (0.32) GABBR2GABBR1CYP11B1CYP11B2DRD2
Hydrochloric Acid SCHEMBL6892092 0.85 CYP11B1 (0.33) GABBR2GABBR1CYP11B1CYP11B2DRD2
Hydrochloric Acid SCHEMBL6889267 0.84 BRD4 (0.31)
Hydrochloric Acid SCHEMBL6891786 0.84 EDNRB (0.30)
Hydrochloric Acid SCHEMBL6892012 0.84 CYP3A4 (0.33) DRD2CYP3A4

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 GABBR2 1897/4885GABBR1 2820/4885CYP11B1 1557/4885

“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.