Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7926719

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1[Hf+2]C1C(C)=Cc2c(-c3cccc4ccccc34)cccc21.C[SiH2][Si](C)(C)C.[Cl-].[Cl-]

nearest known ligand 0.34

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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.31
MAPT P10636 4/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
ALOX15 P16050 3/20 0.32
DHFR P00374 1/20 0.32
BCHE P06276 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 3/20 0.31
MAPK1 P28482 2/20 0.31
TDP2 O95551 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP3 P42574 1/20 0.31
HTT P42858 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 SCHEMBL8079749 0.91 ALDH1A1 (0.34) MAPTNPC1RAB9ASMN1; SMN2ENPP3
Hydrochloric Acid SCHEMBL7933313 0.87 KDM4E (0.33) MAPTKDM4EALDH1A1ALOX12
Hydrochloric Acid SCHEMBL7933229 0.84 ADRA2A (0.33)
Hydrochloric Acid SCHEMBL7933266 0.83 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2ENPP3
Hydrochloric Acid SCHEMBL7926714 0.78 MAPT (0.35) MAPTNPC1RAB9ASMN1; SMN2ENPP3
Hydrochloric Acid SCHEMBL7793942 0.77 ALDH1A1 (0.38) MAPTRAB9AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL27473045 0.76 CA12 (0.33) MAPTNPC1RAB9ASMN1; SMN2ENPP3
Hydrochloric Acid SCHEMBL5167145 0.76 ENPP3 (0.36) MAPTNPC1RAB9ASMN1; SMN2ENPP3
SCHEMBL3149399 0.75 ENPP3 (0.38) MAPTNPC1RAB9ASMN1; SMN2ENPP3
SCHEMBL7054875 0.75 ENPP3 (0.38) MAPTNPC1RAB9ASMN1; SMN2ENPP3

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