Mesalamine

Mesalamine

SCHEMBL140264

Nc1ccc(O)c(C(=O)O)c1.Nc1ccccc1N

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ALOX5PPARGPTGS1PTGS2

The experimentally established mechanism targets of Mesalamine. 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
PTGS2 known ✓ P35354 2/20 0.81
ALOX5 known ✓ P09917 2/20 0.52
KDM4E B2RXH2 3/20 0.81
ALDH1A1 P00352 3/20 0.81
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
CYP3A4 P08684 2/20 0.81
THRB P10828 2/20 0.81
RECQL P46063 2/20 0.81
TDP1 Q9NUW8 2/20 0.81
HPGD P15428 2/20 0.81
KDR P35968 2/20 0.81
TNF P01375 1/20 0.81
HSPD1 P10809 1/20 0.81
CYP2C9 P11712 1/20 0.81
ALOX15 P16050 1/20 0.81
CASP1 P29466 1/20 0.81
CYP2C19 P33261 1/20 0.81
BRCA1 P38398 1/20 0.81
CASP7 P55210 1/20 0.81

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
Mesalamine SCHEMBL28077836 0.90 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL1967328 0.90 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL31297 0.90 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL29354798 0.90 KDM4E (1.00) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL7579516 0.89 KDM4E (0.81) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL10493008 0.88 KDM4E (0.96) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL2680533 0.88 KDM4E (0.96) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL9688231 0.88 KDM4E (0.96) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL6517036 0.88 MEN1 (0.96) KDM4EALDH1A1MEN1KMT2ACYP3A4
Mesalamine SCHEMBL2679950 0.88 KDM4E (0.96) KDM4EALDH1A1MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609927-B2 Caveolin 1-reporter protein knock-in mouse TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-12-17 US disclosed
US-20120060232-A1 Caveolin 1-Reporter Protein Knock-In Mouse TRUSTEES OF DARTMOUTH COLLEGE 2012-03-08 US disclosed
WO-2010138397-A1 CAVEOLIN 1-REPORTER PROTEIN KNOCK-IN MOUSE TRUSTEES OF DARTMOUTH COLLEGE (US) 2010-12-02 WO disclosed
US-7399902-B2 Mouse cardiac conduction system model CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2008-07-15 US disclosed
EP-1836496-A2 METHODS AND COMPOSITIONS FOR PROTEIN-HYDROXY APATITE COMPLEXES AND THEIR APPLICATION IN TESTING AND MODULATING IMMUNOLOGICAL SYSTEM INCLUDING A NOVEL IN VITRO TEST FOR THE DETECTION OF ANTIBODIES AGAINST CALCIUM BINDING PROTEIN-HYDROXY APATITE COMPLEXES Nanobac Life Sciences (US) 2007-09-26 EP disclosed
US-20070141055-A1 Methods and compositions for protein-hydroxy apatite complexes and their application in testing and modulating immunological system including a novel in vitro test for the detection of antibodies against calcium binding protein-hydroxy apatite complexes CIFTCIOGLU, NEVA DR. 2007-06-21 US disclosed
US-20060168674-A1 Mouse cardiac conduction system model UNIVERSITE DE LA MEDITERRANEE (FR) 2006-07-27 US disclosed
US-7074611-B2 Method for the stable inversion of DNA sequence by site-specific recombination and DNA vectors and transgenic cells thereof GIE-CERBN, CENTRE EUROPEEN DE RECHERCHE EN BIOLOGIE ET EN MEDECINE (GIE) (FR) 2006-07-11 US disclosed
WO-2006052924-A2 METHODS AND COMPOSITIONS FOR PROTEIN-HYDROXY APATITE COMPLEXES AND THEIR APPLICATION IN TESTING AND MODULATING IMMUNOLOGICAL SYSTEM INCLUDING A NOVEL IN VITRO TEST FOR THE DETECTION OF ANTIBODIES AGAINST CALCIUM BINDING PROTEIN-HYDROXY APATITE COMPLEXES NANOBAC LIFE SCIENCES (US) 2006-05-18 WO disclosed
EP-1383891-B1 METHOD FOR THE STABLE INVERSION OF DNA SEQUENCE BY SITE-SPECIFIC RECOMBINATION AND DNA VECTORS AND TRANSGENIC CELLS THEREOF GIE CERBM (FR) 2005-12-14 EP disclosed
CN-1147855-A Determination of analytes CORTECS LTD (GB) 1997-04-16 CN disclosed
CN-1144560-A analyte detection method CORTECS LTD (GB) 1997-03-05 CN disclosed
EP-0753149-A1 DETECTION OF ANALYTES CORTECS LIMITED (GB) 1997-01-15 EP disclosed
EP-0753150-A1 DETECTION OF ANALYTES CORTECS LIMITED (GB) 1997-01-15 EP disclosed
US-5506111-A REACTING SAMPLE WITH SOLID PHASE AND LABELLED ANTIBODIES TO DIFFERENT EPITOPES OF HUMAN OSTEOCALCIN TO FORM COMPLEX, SEPARATING COMPLEX, MEASURING AMOUNT OF LABELLED ANTIBODY THEREIN, CORRELATING WITH AMOUNT OF OSTEOCALCIN PRESENT TEIJIN LIMITED (JP) 1996-04-09 US disclosed
WO-1995026504-A1 DETECTION OF ANALYTES CORTECS LIMITED (GB) 1995-10-05 WO disclosed
WO-1995026503-A1 DETECTION OF ANALYTES CORTECS LIMITED (GB) 1995-10-05 WO disclosed
EP-0646794-A1 Method of immunological assaying of human osteocalcin, reagent and kit therefor, antibody to human osteocalcin, hybridoma producing said antibody, and method of producing it TEIJIN LIMITED (JP) 1995-04-05 EP disclosed
EP-0638175-A1 IN VITRO TEST FOR HELICOBACTER PYLORI AUSPHARM INTERNATIONAL LIMITED (AU) 1995-02-15 EP disclosed
WO-1993022682-A1 IN VITRO TEST FOR HELICOBACTER PYLORI AUSPHARM INTERNATIONAL LIMITED (AU) 1993-11-11 WO disclosed