Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7933117

CC(C)C1=C(c2cccc3ccccc23)c2ccccc2C1[Hf+2](C1C(C(C)C)=C(c2cccc3ccccc23)c2ccccc21)=[Ge](C)C.[Cl-].[Cl-]

nearest known ligand 0.35

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
ALOX5 P09917 1/20 0.35
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM1A O60341 1/20 0.32
MTNR1A P48039 1/20 0.31
PPARG P37231 2/20 0.30
PPARA Q07869 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP2 O95551 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 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 SCHEMBL7933100 0.84 KDM1A (0.33) MAPTKDM1AMTNR1AKDM4ETDP2
Hydrochloric Acid SCHEMBL7935514 0.83 NPC1 (0.33) ALOX5MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7926518 0.81 ALOX15 (0.32) KDM1AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL7933167 0.78 ALOX5 (0.34) ALOX5MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7936151 0.73 NPC1 (0.33) ALOX5MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3673543 0.73 NPC1 (0.35) ALOX5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3672744 0.71 MAPT (0.36) ALOX5MAPTNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7926729 0.70 ALDH1A1 (0.33) KDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL2114523 0.70 DHFR (0.36) MAPTNPC1RAB9ASMN1; SMN2KDM1A
Hydrochloric Acid SCHEMBL7935908 0.69 KDM4E (0.33) KDM4E

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