Acetylcysteine

Acetylcysteine

SCHEMBL27636688

CC(=O)N[C@@H](CS)C(=O)O.[Cl-].[Na+]

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Acetylcysteine. 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
MAPT P10636 2/20 0.91
KDM4E B2RXH2 1/20 0.91
THRB P10828 1/20 0.91
ALOX15 P16050 1/20 0.91
NFKB1 P19838 1/20 0.91
PTGS2 P35354 1/20 0.91
THPO P40225 1/20 0.91
RECQL P46063 1/20 0.91
BLM P54132 1/20 0.91
SMN1; SMN2 Q16637 1/20 0.91
ACE P12821 1/20 0.57
ALDH1A1 P00352 2/20 0.55
FOLH1 Q04609 3/20 0.48
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
GNPAT O15228 1/20 0.39
TGFBR1 P36897 1/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
Acetylcysteine SCHEMBL27636692 1.00 MAPT (0.91) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL20915033 0.96 MAPT (0.91) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL1041788 0.96 MAPT (0.91) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437350 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437351 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923962 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL149212 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL1384791 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL5292 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1799537-A Preparation method and clinical application of acetylcysteine powdered injection and acetylcysteine infusion JIANG JIANGUO (CN) 2006-07-12 CN claimed
CN-103421205-B Surface modifying method and surface modified elastic body 住友橡胶工业株式会社 2019-07-23 CN disclosed
CN-104769026-B Surface modifying method and surface modified elastic body 住友橡胶工业株式会社 2018-09-18 CN disclosed
CN-101239037-B Acetylcysteine injection and preparation thereof HANGZHOU SHENGYOU MEDICINE TECHNOLOGY DEV CO LTD 2010-12-22 CN disclosed
CN-101239037-A Acetylcysteine injection and preparation thereof HANGZHOU SHENGYOU MEDICINE TEC (CN) 2008-08-13 CN disclosed
CN-1799537-A Preparation method and clinical application of acetylcysteine powdered injection and acetylcysteine infusion JIANG JIANGUO (CN) 2006-07-12 CN disclosed