Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6893023

CC(C)CC1=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc2C1[Zr+2]1(C2C(CC(C)C)=Cc3c(-c4ccc(C(F)(F)F)cc4)cccc32)C2CCCCC21.[Cl-].[Cl-]

nearest known ligand 0.32

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 7)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.32
DRD2 P14416 1/20 0.31
GABBR2 O75899 3/20 0.31
GABBR1 Q9UBS5 3/20 0.31
CYP11B1 P15538 2/20 0.30
CYP11B2 P19099 2/20 0.30
CYP3A4 P08684 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 SCHEMBL6886229 0.91
Hydrochloric Acid SCHEMBL6885879 0.89 DRD2 (0.35) CACNA1BDRD2GABBR2GABBR1CYP11B1
Hydrochloric Acid SCHEMBL6892396 0.87
Hydrochloric Acid SCHEMBL6891662 0.87 ALDH1A1 (0.31) CYP3A4
Hydrochloric Acid SCHEMBL6890703 0.87 CACNA1B (0.33) CACNA1BDRD2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6889712 0.87 DRD2 (0.36) DRD2GABBR2GABBR1CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6892880 0.86 CACNA1B (0.34) CACNA1BDRD2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL6892270 0.86 BRD4 (0.30)
Hydrochloric Acid SCHEMBL6885729 0.85 CACNA1B (0.31) CACNA1B
Hydrochloric Acid SCHEMBL6885526 0.85 DRD2 (0.35) DRD2GABBR2GABBR1CYP11B1CYP11B2

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 CACNA1B 462/4885DRD2 1104/4885GABBR2 1897/4885

“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.