Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7936016

CC1=C([Hf+2](C2=C(C)C(c3cccc4ccccc34)=CC2)=[Si](C)c2ccccc2)CC=C1c1cccc2ccccc12.[Cl-].[Cl-]

nearest known ligand 0.31

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 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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 SCHEMBL7936667 0.89 PTPN1 (0.32) PTPN1ENPP3ENPP1NISCHKDM4E
Hydrochloric Acid SCHEMBL7938843 0.87 PTPN1 (0.34) PTPN1ENPP3ENPP1NISCHKDM4E
Hydrochloric Acid SCHEMBL7926688 0.75 PTPN1 (0.31) PTPN1NISCHKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7933256 0.73 PTPN1 (0.32) PTPN1ENPP3ENPP1NISCHKDM4E
Hydrochloric Acid SCHEMBL7935534 0.71 PTPN1 (0.34) PTPN1ENPP3ENPP1NISCHKDM4E
Hydrochloric Acid SCHEMBL7938973 0.66 PTPN1 (0.34) PTPN1ENPP3ENPP1NISCHKDM4E
Hydrochloric Acid SCHEMBL7938716 0.63 PTPN1 (0.32) PTPN1ENPP3ENPP1NISCHKDM4E
Hydrochloric Acid SCHEMBL7744088 0.63 PTPN1 (0.34) PTPN1ENPP3ENPP1NISCHKDM4E
Hydrochloric Acid SCHEMBL7939134 0.62 ENPP3 (0.31) ENPP3ENPP1KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7743950 0.62 ALOX5 (0.32) PTPN1KDM4EALDH1A1HPGD

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-6184402-B1 RESOLUTION OF A STEREOISOMERIC MIXTURE OF SPECIFIC METALLOCENE COMPLEXES BRIDGED WITH A TRANSITION METAL HAVING AN OXYGEN BOND ATTACHED, I.E., A MU-OXO COMPLEX; HYDROLYSIS IN THE PRESENCE OF A BASE; SEPARATION OF MESO FORM FROM MIXES CHISSO CORPORATION (JP) 2001-02-06 US disclosed