Predicting novel targets for existing drugs using side effect information
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Predicting novel targets for existing drugs using side effect information Lars Juhl Jensen
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Systems Biology Workshop, Technical University of Denmark, Lyngy, Denmark, May 14-15, 2009
Transcript of Predicting novel targets for existing drugs using side effect information
Predicting novel targets for existing drugs using side effect information
Lars Juhl Jensen
the problem
new uses for old drugs
drug–drug network
shared target(s)
chemical similarity
Campillos & Kuhn et al., Science, 2008
Campillos & Kuhn et al., Science, 2008
similar drugs share targets
only trivial predictions
the idea
chemical perturbations
phenotypic readouts
drug treatment
side effects
the implementation
information on side effects
package inserts
Campillos & Kuhn et al., Science, 2008
text mining
side-effect ontology
backtracking
Campillos & Kuhn et al., Science, 2008
side-effect correlations
Campillos & Kuhn et al., Science, 2008
GSC weighting
side-effect frequencies
Campillos & Kuhn et al., Science, 2008
raw similarity score
Campillos & Kuhn et al., Science, 2008
p-values
Campillos & Kuhn et al., Science, 2008
side-effect similarity
chemical similarity
Campillos & Kuhn et al., Science, 2008
reference set
drug–target pairs
Campillos & Kuhn et al., Science, 2008
drug–drug pairs
score bins
benchmark
Campillos & Kuhn et al., Science, 2008
fit calibration function
Campillos & Kuhn et al., Science, 2008
probabilistic scores
the results
drug–drug network
ATC codes
Campillos & Kuhn et al., Science, 2008
categorization
Campillos & Kuhn et al., Science, 2008
Campillos & Kuhn et al., Science, 2008
Campillos & Kuhn et al., Science, 2008
map onto score space
Campillos & Kuhn et al., Science, 2008
the experiments
20 drug–drug relations
in vitro binding assays
Campillos & Kuhn et al., Science, 2008
Campillos & Kuhn et al., Science, 2008
Campillos & Kuhn et al., Science, 2008
Ki<10 µM for 11 of 20
cell assays
Campillos & Kuhn et al., Science, 2008
9 of 9 showed activity
the future
target side-effect profiles
drug–target network
integration with STITCH
Acknowledgments
Monica Campillos
Michael Kuhn
Anne-Claude Gavin
Peer Bork
