Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904413

CCCc1ccc(C2=Cc3c(-c4cccc5ccccc45)cccc3C2[Zr+2]C2C(c3ccc(CCC)s3)=Cc3c(-c4cccc5ccccc45)cccc32)s1.[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 6)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
SLC6A4 P31645 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 SCHEMBL6902508 0.92 MEN1 (0.33) HTR6CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6904306 0.86 CYP2E1 (0.33)
Hydrochloric Acid SCHEMBL6901373 0.85 S1PR5 (0.32)
Hydrochloric Acid SCHEMBL6901127 0.84 CA12 (0.35) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6902770 0.82 CA12 (0.36) CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL6903694 0.82
Hydrochloric Acid SCHEMBL6903947 0.82
Hydrochloric Acid SCHEMBL6903511 0.82
Hydrochloric Acid SCHEMBL2521566 0.81 SLC6A4 (0.33) CA12CA1CA2CA9SLC6A4
Hydrochloric Acid SCHEMBL6903873 0.80

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
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed