Aspirin

Aspirin

SCHEMBL10380307

CC(=O)Oc1ccccc1C(=O)O.CCOc1ccc(NC(C)=O)cc1

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Aspirin. 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
PTGS1 known ✓ P23219 1/20 0.58
PTGS2 known ✓ P35354 1/20 0.58
KMT2A Q03164 7/20 0.63
MEN1 O00255 6/20 0.63
LMNA P02545 3/20 0.63
TDP1 Q9NUW8 2/20 0.63
CYP1A2 P05177 2/20 0.63
MAPT P10636 4/20 0.59
KDM4E B2RXH2 5/20 0.58
HSD17B10 Q99714 2/20 0.58
HPGD P15428 2/20 0.58
ALDH1A1 P00352 2/20 0.58
ESR1 P03372 1/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HMGB1 P09429 1/20 0.58
TSHR P16473 1/20 0.58
GGT1 P19440 1/20 0.58
BLM P54132 1/20 0.58
NAPRT Q6XQN6 1/20 0.58

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
Aspirin SCHEMBL11063386 0.95 KMT2A (0.58) KMT2AMEN1LMNATDP1CYP1A2
Aspirin SCHEMBL20770305 0.89 KMT2A (0.56) KMT2AMEN1LMNATDP1CYP1A2
Aspirin SCHEMBL11224110 0.89 KDM4E (0.53) KMT2AMEN1LMNATDP1CYP1A2
Benorilate SCHEMBL1162333 0.85 HSD17B10 (0.68) KMT2AMEN1LMNATDP1CYP1A2
Aspirin SCHEMBL4660338 0.83 HSD17B10 (0.67) KMT2AMEN1LMNATDP1CYP1A2
Phenacetin SCHEMBL27622268 0.83 KMT2A (0.87) KMT2AMEN1LMNATDP1CYP1A2
Phenacetin SCHEMBL28124259 0.80 KMT2A (0.93) KMT2AMEN1LMNATDP1CYP1A2
Phenacetin SCHEMBL23280 0.80 KMT2A (1.00) KMT2AMEN1LMNATDP1CYP1A2
Phenacetin SCHEMBL18894356 0.80 KMT2A (1.00) KMT2AMEN1LMNATDP1CYP1A2
Etersalate SCHEMBL24764 0.80 ALDH1A1 (0.51) KMT2AMEN1LMNATDP1CYP1A2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102988372-B Screening and composition of main auxiliary materials of compound aspirin tablet, and preparation method of compound aspirin sheet 广东九明制药有限公司 2017-05-03 CN claimed
CN-102988372-A Screening and composition of main auxiliary materials of compound aspirin tablet, and preparation method of compound aspirin sheet GUANGDONG JIUMING PHARMACEUTICAL CO LTD 2013-03-27 CN claimed
CN-101301296-A Compound preparation for treating beriberi and production method BAOGUO DAI (CN) 2008-11-12 CN claimed
CN-102988372-B Screening and composition of main auxiliary materials of compound aspirin tablet, and preparation method of compound aspirin sheet 广东九明制药有限公司 2017-05-03 CN disclosed
CN-103191135-B The compositions of aspirin, phenacetin and caffeine tablet and preparation technology thereof 广东九明制药有限公司 2016-06-22 CN disclosed
CN-105687151-A Method for preparing tablet medicine on basis of ink-jet 3D printing technology 西北工业大学 2016-06-22 CN disclosed
CN-105560554-A Traditional Chinese medicine composition for diminishing inflammation and relieving sore throat and preparation method thereof GUANGXI WUZHOU PHARMACEUTICAL (GROUP) CO LTD 2016-05-11 CN disclosed
CN-104825857-A Traditional Chinese medicine preparation used for treating child suppurative tonsillitis, and preparation method thereof WANG XUEYAN 2015-08-12 CN disclosed
CN-103191135-A Acetylsalicylic acid-phenacetin-caffeine sheet composition and preparation technology thereof GUANGDONG JIUMING PHARMACEUTICAL CO LTD 2013-07-10 CN disclosed
CN-102138953-B Application of chorispora bungeana or extract thereof in preparation of medicaments for preventing and treating cardiovascular and cerebrovascular diseases UNIV LANGZHOU 2013-04-17 CN disclosed
CN-102988372-A Screening and composition of main auxiliary materials of compound aspirin tablet, and preparation method of compound aspirin sheet GUANGDONG JIUMING PHARMACEUTICAL CO LTD 2013-03-27 CN disclosed
CN-101897709-A Drug composition containing small dosage of folic acid and aspirin and application thereof BEIJING AOSA PHARMED RES CT CO LTD 2010-12-01 CN disclosed
CN-101647867-A Traditional Chinese medicine composition for clearing away heat and toxic material CHONGQING STAR LAKE PHARMACEUT 2010-02-17 CN disclosed
CN-1270742-C Antiseptic Chinese medicine composition and its prepn process SHANGHAI HAITIAN MEDICINE SCI (CN) 2006-08-23 CN disclosed
CN-1651085-A Compound aspirin tading kind medicinal preparation and its application FUKANGREN BIOPHARM SCI & RES (CN) 2005-08-10 CN disclosed
CN-1651042-A Compound aspirin red yeast extract medicinal preparation and its application BEIJING FUKANGREN BIO PHARMACE (CN) 2005-08-10 CN disclosed
CN-1615892-A Prescription of compound antipyretic analgesic containing etenzamide and its preparing method LI JIE (CN) 2005-05-18 CN disclosed
CN-1608648-A Antiseptic Chinese medicine composition and its prepn process SHANGHAI HAITIAN MEDICINE SCI (CN) 2005-04-27 CN disclosed
WO-1990015593-A1 A PROCESS FOR THE PREPARATION OF DRUG PARTICLES YTKEMISKA INSTITUTET (SE) 1990-12-27 WO disclosed
WO-1987005941-A1 MICROCHEMILUMINESCENT ASSAY FOR DETECTION AND QUANTIFICATION OF OXIDATIVE INJURY TO CELLS MCLAS TECHNOLOGIES, INC. (US) 1987-10-08 WO disclosed