Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1034556

Cc1cccc(-c2cc(C)c(C)c3c2C=C(C(C)C)C3[Zr+2]2(C3C(C(C)C)=Cc4c(-c5cccc(C)c5)cc(C)c(C)c43)CC2)c1.[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 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
LDHA P00338 1/20 0.31
LDHB P07195 1/20 0.31

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 SCHEMBL1030858 0.90
Hydrochloric Acid SCHEMBL1032229 0.88 NISCH (0.32) ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL1030885 0.88
Hydrochloric Acid SCHEMBL1029407 0.87 LDHA (0.33) ADRA2AADRA2BADRA2CLDHALDHB
Hydrochloric Acid SCHEMBL1031887 0.87
Hydrochloric Acid SCHEMBL1032560 0.86 PTGS2 (0.30)
Hydrochloric Acid SCHEMBL1031236 0.84 CHRM3 (0.30)
Hydrochloric Acid SCHEMBL1034018 0.83 NISCH (0.30)
Hydrochloric Acid SCHEMBL1032897 0.82
Hydrochloric Acid SCHEMBL1033185 0.81

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
EP-1567560-B1 ORGANOMETALLIC TRANSITION METAL COMPOUND, BISCYCLOPENTADIENYL LIGAND SYSTEM, CATALYST SYSTEM AND PROCESS FOR PREPARING POLYOLEFINS BASELL POLYOLEFINE GMBH (DE) 2011-01-19 EP disclosed