Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6654527

CC(O[Ti+2])c1c(-c2cccc3c2Cc2ccccc2-3)ccc2ccccc12.[Cl-].[Cl-]

nearest known ligand 0.42

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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 20)

geneUniProtsupporting neighboursconfidence
ACHE known ✓ P22303 1/20 0.32
PNMT P11086 1/20 0.35
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
DNMT1 P26358 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL6654528 0.83 PNMT (0.33) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL3671256 0.77 PNMT (0.41) PNMTRAB9ANPC1HTR7MEN1
Hydrochloric Acid SCHEMBL3681645 0.75 PNMT (0.35) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL3213576 0.74 DNMT1 (0.32) DNMT1
Hydrochloric Acid SCHEMBL3675879 0.74 PNMT (0.39) PNMTRAB9ANPC1HTR7HTR1A
Hydrochloric Acid SCHEMBL3191568 0.73 DNMT1 (0.34) RAB9ADNMT1MEN1ALDH1A1MAPT
SCHEMBL28753179 0.73 RAB9A (0.40) PNMTRAB9ANPC1HTR7HTR1A
SCHEMBL6675750 0.73 PNMT (0.50) PNMTRAB9ANPC1HTR7HTR1A
Benzo(A)Fluorene SCHEMBL150250 0.73 CA1 (0.46) PNMTRAB9ANPC1HTR7HTR1A
Benzo(A)Fluorene SCHEMBL29620372 0.73 CA1 (0.46) PNMTRAB9ANPC1HTR7HTR1A

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
US-20040242410-A1 Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymer with the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-02 US disclosed
EP-1426379-A1 TRANSITION METAL COMPLEX,CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMER WITH THE SAME Sumitomo Chemical Company, Limited (JP) 2004-06-09 EP disclosed