Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7936151

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

nearest known ligand 0.33

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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
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX5 P09917 1/20 0.32
KDM1A O60341 1/20 0.31
MTNR1A P48039 2/20 0.31
MTNR1B P49286 1/20 0.31
SLC6A4 P31645 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 SCHEMBL339001 0.83 KDM4E (0.33) MAPTKDM1AMTNR1AMTNR1BSLC6A4
Hydrochloric Acid SCHEMBL3759506 0.83 KDM4E (0.33) MAPTKDM1AMTNR1AMTNR1BSLC6A4
Hydrochloric Acid SCHEMBL3673543 0.82 NPC1 (0.35) NPC1MAPTRAB9ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL7933167 0.82 ALOX5 (0.34) NPC1MAPTRAB9ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL5604484 0.81 NPC1 (0.31) NPC1MAPTRAB9ASMN1; SMN2SLC6A4
Hydrochloric Acid SCHEMBL5604466 0.80 SLC6A4 (0.33) MAPTKDM1AMTNR1AMTNR1BSLC6A4
Hydrochloric Acid SCHEMBL7935514 0.77 NPC1 (0.33) NPC1MAPTRAB9ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL4658126 0.75 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL31571612 0.75 NPC1 (0.32) NPC1MAPTRAB9ASMN1; SMN2ALOX5
Hydrochloric Acid SCHEMBL5950993 0.75 ALDH1A1 (0.32) NPC1MAPTRAB9ASMN1; SMN2

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