Acetylcysteine

Acetylcysteine

SCHEMBL20915033

CC(=O)NC(CS)C(=O)O.[Na+].[OH-]

nearest known ligand 0.91

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
THRB known ✓ P10828 1/20 0.91
PTGS2 known ✓ P35354 1/20 0.91
ACE known ✓ P12821 1/20 0.57
CA1 known ✓ P00915 3/20 0.39
CA2 known ✓ P00918 3/20 0.39
CA12 known ✓ O43570 1/20 0.36
MAPT P10636 2/20 0.91
KDM4E B2RXH2 1/20 0.91
ALOX15 P16050 1/20 0.91
NFKB1 P19838 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
ALDH1A1 P00352 2/20 0.55
FOLH1 Q04609 3/20 0.48
GNPAT O15228 1/20 0.39
TGFBR1 P36897 1/20 0.38
NAALAD2 Q9Y3Q0 2/20 0.36
FNTA P49354 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 SCHEMBL1041788 1.00 MAPT (0.91) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL27636688 0.96 MAPT (0.91) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL27636692 0.96 MAPT (0.91) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL5291 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL149212 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL4437350 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL3923962 0.96 MAPT (1.00) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL3688241 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112881699-A Method for detecting bacterial endotoxin in acetylcysteine 杭州浙中医药科技有限公司 2021-06-01 CN claimed
CN-117844901-A Liquefying agent and liquefying method for viscous biological sample 深圳市中西医结合医院 2024-04-09 CN disclosed
US-20220175673-A1 SURGICAL DEVICE Saint Anthony Biomedical, LLC 2022-06-09 US disclosed
CN-112881699-A Method for detecting bacterial endotoxin in acetylcysteine 杭州浙中医药科技有限公司 2021-06-01 CN disclosed
CN-112881699-A Method for detecting bacterial endotoxin in acetylcysteine 杭州浙中医药科技有限公司 2021-06-01 CN disclosed
US-20200048678-A1 METHOD FOR ELECTROCHEMICAL DETECTION OF MYCOBACTERIA INSTITUT NATIONAL DE RECHERCHE POUR L'AGRICULTURE, L'ALIMENTATION ET L'ENVIRONNEMENT (FR) 2020-02-13 US disclosed
US-20190117569-A1 COMPOSITIONS AND METHODS FOR REDUCING INFECTION IN WOUNDS AND SURGICAL SITES Saint Anthony Biomedical, LLC 2019-04-25 US disclosed
CN-1065873-C Decorative ignitor HOFFMANN LA ROCHE (CH) 2001-05-16 CN disclosed
CN-1194270-A Decorative ignitor HOFFMANN LA ROCHE (CH) 1998-09-30 CN disclosed