Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8426784

Cc1cc(C2=Cc3ccccc3C2[Zr+2]C2C(c3cc(C)cc4ccccc34)=Cc3ccccc32)c2ccccc2c1.[Cl-].[Cl-]

nearest known ligand 0.40

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 2)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40

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 SCHEMBL7196886 0.83 CYP1A2 (0.40) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL6287696 0.81 PTPN1 (0.35)
SCHEMBL8503273 0.81 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL7055041 0.81 CYP1A2 (0.40) CYP1A2CYP2A6
SCHEMBL7054873 0.80 CYP1A2 (0.39) CYP1A2CYP2A6
SCHEMBL5476789 0.80 CYP1A2 (0.39) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL5600042 0.79 CYP1A2 (0.36) CYP1A2CYP2A6
SCHEMBL5481647 0.78 CYP1A2 (0.38) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL6706321 0.78 CYP1A2 (0.36) CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL5612648 0.78 CYP1A2 (0.36) CYP1A2CYP2A6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962359-A Metallocene compound and its use as catalyst component TARGOR GMBH (DE) 1999-10-05 US disclosed