using side effects for drug target identification
TRANSCRIPT
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Using side effects fordrug target identification
Lars Juhl Jensen
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the problem
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new uses for old drugs
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drug–drug network
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shared target(s)
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chemical similarity
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Campillos & Kuhn et al., Science, 2008
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Campillos & Kuhn et al., Science, 2008
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similar drugs share targets
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only trivial predictions
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the idea
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chemical perturbations
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phenotypic readouts
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drug treatment
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side effects
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the hard work
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information on side effects
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no database
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package inserts
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Campillos & Kuhn et al., Science, 2008
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text mining
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side-effect ontology
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backtracking
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Campillos & Kuhn et al., Science, 2008
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manual validation
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SIDER
Kuhn et al., Molecular Systems Biology, 2010
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side-effect correlations
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Campillos & Kuhn et al., Science, 2008
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GSC weighting
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side-effect frequencies
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Campillos & Kuhn et al., Science, 2008
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raw similarity score
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Campillos & Kuhn et al., Science, 2008
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p-values
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Campillos & Kuhn et al., Science, 2008
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side-effect similarity
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chemical similarity
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Campillos & Kuhn et al., Science, 2008
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confidence scores
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reference set
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incomplete databases
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text mining
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manual validation
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MATADOR
Günther et al., Nucleic Acids Research, 2008
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Campillos & Kuhn et al., Science, 2008
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text mining
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reflect.ws
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Pafilis, O’Donoghue, Jensen et al., Nature Biotechnology, 2009
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collaborate with industry
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the results
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drug–drug network
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Campillos & Kuhn et al., Science, 2008
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categorization
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Campillos & Kuhn et al., Science, 2008
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20 drug–drug pairs
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in vitro binding assays
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Ki<10 µM for 11 of 20
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cell assays
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9 of 9 showed activity
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the future
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link side-effects to targets
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direct target prediction
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Acknowledgments
Side effects– Monica Campillos– Michael Kuhn– Anne-Claude Gavin– Peer Bork
Reflect– Heiko Horn– Sune Frankild– Evangelos Pafilis– Reinhardt Schneider– Sean O’Donoghue
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larsjuhljensen