Hydrochloric Acid

Hydrochloric Acid

SCHEMBL5601565

Cc1cc2ccccc2n1C1=Cc2ccccc2C1[Zr+2]C1C(n2c3c(c4ccccc42)CCC3)=Cc2ccccc21.[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 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
VCP P55072 1/20 0.32
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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 SCHEMBL5602119 0.98 SMN1; SMN2 (0.34) SMN1; SMN2CA1CA2VCPMAPT
Hydrochloric Acid SCHEMBL5603140 0.89 CA1 (0.39) CA1CA2MAPTKDM4EALDH1A1
Bromide SCHEMBL5600682 0.87 CA1 (0.39) CA1CA2MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5600409 0.87 CA1 (0.40) CA1CA2MAPTKDM4EALDH1A1
Fluoride Ion SCHEMBL5603612 0.87 CA1 (0.39) CA1CA2MAPTKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5599890 0.86 MAPT (0.31) MAPTRXFP1
Hydrochloric Acid SCHEMBL5601254 0.85 CA1 (0.33) CA1CA2
Hydrochloric Acid SCHEMBL5602817 0.85 CA1 (0.31) CA1CA2
Hydrochloric Acid SCHEMBL5600860 0.85 SMN1; SMN2 (0.34) SMN1; SMN2CA1CA2VCPMAPT
Fluoride Ion SCHEMBL5601302 0.84 CA1 (0.40) CA1CA2MAPTKDM4EALDH1A1

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-7276567-B2 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-10-02 US disclosed
US-20050261449-A1 Heterocyclic substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENT INC. 2005-11-24 US disclosed