Hydrochloric Acid

Hydrochloric Acid

SCHEMBL1031608

Cc1cc(-c2cccc3ccccc23)c2c(c1C)C([Zr+2]1(C3C(C(C)C)=Cc4c(-c5cccc6ccccc56)cc(C)c(C)c43)CC1)C(C(C)C)=C2.[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 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 2/20 0.30
HTR7 P34969 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 SCHEMBL1030887 0.89 CA12 (0.34) CA12CA1CA2CA9HTR1A
Hydrochloric Acid SCHEMBL1032897 0.88
Hydrochloric Acid SCHEMBL1031761 0.87 NPC1 (0.32) CA12CA1CA2CA9NPC1
Hydrochloric Acid SCHEMBL5071127 0.85 HTR7 (0.32) CA12CA1CA2CA9HTR1A
Hydrochloric Acid SCHEMBL1032071 0.83 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1030858 0.83
Hydrochloric Acid SCHEMBL1033508 0.83 SMN1; SMN2 (0.31) NPC1MAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1030958 0.81 HTR7 (0.32) HTR7
Hydrochloric Acid SCHEMBL1034556 0.80 ADRA2A (0.32)
Hydrochloric Acid SCHEMBL6891796 0.79 NPC1 (0.34) NPC1MAPTRAB9ASMN1; SMN2HTR1A

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