Synaptic Science LLC

SeuratStructure Exploration Utility for RAtional

Therapeutics

Democratizing access to data and tools for discovery

ChemAxon UGM June 2007 Partner Lightning Round Presentation

2

Synaptic Science Company Overview

• Spun out of Celera Genomics in mid 2006• Outright assignment of 3 years worth of IP from team of 6

– Primary IP is Seurat platform (12 FTE years of development)– Algorithms and visualization techniques

• Seurat is a proven drug discovery platform that has been shown to improve productivity (Celera / 10 projects / 150 users / 3 years)

• Team of six highly experienced computational chemists, mathematicians and software development specialists

• Several customers already and many pilot installs / evaluations underway

• Presented at ChemAxon UGM in 2006

• Offer a significant discount to academic users

3

Why Seurat?

“The effective integration and use of information and data will become the single biggest differentiator of

pharmaceutical R&D in the next decade“

-D&MD report on Bioinformatics   

http://www.ejbiotechnology.info/content/vol3/issue2/full/4/index.html

 

4

What is Seurat? Product Overview

• Structure Exploration Utility for Rational Therapeutics

• Suite of software tools for team based real-time collaborative drug discovery

• Brings together many data points into complete picture

– Flexible access to corporate DB & meta-information.

– Open System: Incorporate in-house tools easily.

– Perform & track SAR analyses.– Visual Data Mining: Create & track

hypotheses.– Easy for bench scientists to use.

• The power of JChem Base in the hands of every chemist and biologist

5

Why use Seurat?Benefits to your organization

• Support federated data sources: Seurat can work against your existing medicinal chemistry database(s). Companies have many suppliers of tools and data – integrating this data is critical

• Chemically and Biologically-aware: Always include chemical structures in biological context– Appropriately handle experimental uncertainty or complexity: show/hide

details as needed.

• Decision script paradigms: Allow users to flexibly build process pipelines and reuse step components

• Orthogonal perspectives from tables: mine, visualize, explore, save, update SAR. Make new discoveries about your data, even data that you have analyzed for years.

6

SeuratSomething for every scientific discipline

7

SeuratSomething for every scientific discipline

Crystal Structures

Real Time Interactive Property Prediction

Kinome browser

8

Seurat Something for every scientific discipline

Available chemicals directory

Patent landscapebrowser

PK Reports

9

SeuratSupporting federated data sources

10

Seurat Programmable Job Model API

• User decisions are saved as a hierarchy of job objects

– Can be executed without GUI– This is how the cache of results is

refreshed overnight

• Help->Debug Job allows you to see a visual representation of how to combine jobs to get a result

– Learn by example

• Parent jobs can be combined logically (AND, OR, NOT, PIPE)

• Use Seurat GUI or programmatically create your own jobs then

– Display results within your own GUI / Webpage

– Use a Seurat job as a step in a pipeline

11

SeuratChemically and Biologically Aware

Showing compound data without including chemical structures is like starving chemists of oxygen.

• SAR Analysis– Equations can be applied to

structures and data.– R-group decomposition

• Import and Export chemical structures

– Microsoft Excel (Structure images), PDF, SD files

– Copy and paste into Microsoft PowerPoint

12

SeuratIntelligent handling of experimental

uncertainty or complexity

An assay value out of context looses meaning. Don’t try to coerce data into a single form

• Biological Assays– Imprecise values shown and can

be used in calculations– Aggregate experiments per

compound mouse over for detail

• Pharmacokinetics & Pharmacology

– Confidence Intervals– Link to full report when available

13

SeuratDecision script paradigm

Don’t force user to articulate thesis to start, instead let the user organically grow analysis steps as needed

• Start with a simple query

• Incremental complexity – add, remove data as needed in steps

• Record script for replay – save it for later, email to others

• Real-time data acquisition – always see the latest results

14

SeuratOrthogonal perspectives from tables

Allow users to actively discover information using several orthogonal tools. Allow users to save snapshots as hypotheses & track these.

• Size, color etc. allows analysis in >2D

• All views are linked, selection in one is echoed into other views.

• Dynamic filtering applies to all views simultaneously

– Which series is best?

– What should I assay next?

– What compound to synthesize next?

Drag and drop

rows / cols to cluster

15

Seurat Orthogonal perspectives from tables – SAR

• Alternate but linked views of results:

– Tabular and most familiar– Matrix view with zooming and

cell coloring for emphasis of “hot spots”

• Can still organically grow the tabular view to better inform the matrix view

16

SeuratPresent and Future

Customers report ease of adoption leads to rapid uptake by users

Seurat users discussion group meeting @ Genentech June 29th

• “Introduction and Application of Seurat at SGX Pharmaceuticals”• Come if you are in the San Fran area, talk will be posted to our website

• Contact US– info@synapticscience.com

– +1 301 915 0274

– www.synapticscience.com

• Remember:– We offer free 30 day evaluations of the Seurat platform.

– We can get Seurat setup to access your existing database(s) at no additional charge and without the need to migrate any data.