Hydrochloric Acid

Hydrochloric Acid

SCHEMBL8715683

C1=CCC([Hf+2]C2=CC=CC2)=C1.CCCCC(CC)CO[Ti+](C1=CC=CC1)C1=CC=CC1.CCCCO[Ti+](C1=CC=CC1)C1=CC=CC1.[Cl-].[H-]

nearest known ligand 0.33

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 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 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 SCHEMBL8717754 0.86 CYP3A4 (0.41) CYP3A4L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL6361667 0.77 HPGD (0.32)
Hydrochloric Acid SCHEMBL6357067 0.62 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL27267867 0.62 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL8715936 0.62 CYP3A4 (0.37) CYP3A4L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL27268509 0.61 NR5A1 (0.30)
SCHEMBL6357923 0.60 CYP3A4 (0.40) CYP3A4L3MBTL1ALDH1A1
SCHEMBL8712439 0.60 ALDH1A1 (0.40) CYP3A4L3MBTL1ALDH1A1
SCHEMBL6903241 0.60 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1
SCHEMBL27279270 0.60 CYP3A4 (0.38) CYP3A4L3MBTL1ALDH1A1

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
EP-0669346-B1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO LTD (JP) 1998-06-03 EP disclosed
EP-0669346-A1 Solid catalyst components for olefin polymerization and use thereof NIPPON OIL CO. LTD. (JP) 1995-08-30 EP disclosed