Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6892004

CC(C)C1=Cc2c(-c3ccc(C(F)(F)F)cc3)cccc2C1[Ti+2]1(C2C(C(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 8)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 3/20 0.32
GABBR1 Q9UBS5 3/20 0.32
CYP11B1 P15538 4/20 0.31
CYP11B2 P19099 4/20 0.31
DRD2 P14416 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
CACNA1B Q00975 2/20 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 SCHEMBL6891645 0.90 BRD4 (0.30)
Hydrochloric Acid SCHEMBL6889451 0.87 BRD4 (0.32)
Hydrochloric Acid SCHEMBL6892789 0.87 ADRA2A (0.30)
Hydrochloric Acid SCHEMBL6891272 0.87 ALDH1A1 (0.32)
Hydrochloric Acid SCHEMBL6892207 0.86 GABBR2 (0.35) GABBR2GABBR1CYP11B1CYP11B2DRD2
Hydrochloric Acid SCHEMBL6889965 0.85 DRD2 (0.31) CYP11B1CYP11B2DRD2CACNA1B
Hydrochloric Acid SCHEMBL6884613 0.85 CACNA1B (0.32) GABBR2GABBR1DRD2CACNA1B
Hydrochloric Acid SCHEMBL6889704 0.84 DRD2 (0.32) CYP11B1CYP11B2DRD2AKR1C3AKR1C2
Hydrochloric Acid SCHEMBL6890840 0.84 CYP11B1 (0.33) GABBR2GABBR1CYP11B1CYP11B2DRD2
Hydrochloric Acid SCHEMBL6890612 0.84 CYP3A4 (0.33) DRD2

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.