NEW PLATFORM FOR IN SILICO PROFILING

S.A.F.AN. BIOINFORMATICSLuisa Pugliese, PhD, Owner, CEOwww.safan-bioinformatics.it

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S.A.F.AN. BIOINFORMATICSStructural And Functional ANalysis

• Research bioinformatics company

• Created in 2004

• Located in Torino, Italy

• Eighteen years of experience in Italian and European Universities

• Collaborating with major Italian pharmaceutical companies

• Participating in European Research projects

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OUR MISSION

• Use computational methods to explore small molecule binding to pharmaceutical targets

• Screen compounds for new drugs or drugs repositioning ahead of more in-depth studies for a better success rate

• Experimental-like accuracy at a lower cost and with computational turnaround time

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In Silico Profiling: SAFAN-ISP

• 12 different functional classes• 3100 targets

• 300K compounds

• 66K fragments

• 500K bioactivity information

Patentable products

Functional classes

Targets

Adhesion 10

Auxiliary Transport 9

Enzyme 2129

GPCRs 469

Ion Channels 188

Other Membrane Targets

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Other Nuclear Targets 6

Secreted Proteins 27

Structural Proteins 6

Surface Antigens 14

Transcription Factors 88

Transporters 122

Unclassified 387

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HOW SAFAN-ISP WORKS

• Proprietary algorithms to forecast small molecules:protein affinity through fragments weight assignment

• Proprietary fragments database

• Refactored bioactivity database derived from public data

• Big data analysis to match your compound to knowledge base

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DATA SET:• 5943 COMPOUNDS• 7351 INTERACTIONS• 4.5 AVERAGE NUMBER OF EXPERIMENTS REPLICATION

SAFAN-ISP VS. EXPERIMENTAL ERROR

Similar error distribution means similar precision

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PROFILING TECHNOLOGIES

TECHNOLOGY

COMPANY

√ √ √ √

CHEMOTARGETS √ √ √ X X X

GVK BIOSCIENCE √ X X X X X

THOMPSON REUTER √ √ X X X X

ELSERVIER √ X X X X X

NUMEDICUS Ldt √ X X X X X

EUROFINS BIOPRINT √ X X X X X

CRESSET X √ X X X X

SOM BIOTECH X √ X X X X

DATABASE ANALYSIS:

IMPORTANT INFORMATION

NO NEW PATENTS

COMPUTATIONAL CHEMISTRY

PREDICTIONS: NEW IP & NEW

PATENTS

QUANTITATIVE SCORING:

DIRECT COMPARISON

WITH EXPERIMENTAL

DATA

SPECIFIC FRAGMENTS:

GOOD RESULTS AT LOW

SIMILARITY. NEW PATENTS

FAST CHIRAL ANALYSIS

HIGH SPEED PEPTIDE ANALYSIS

SAFAN BIOINFORMATICS

work in progress

work in progress

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S.A.F.A.N. delivered results in less than a month:Biotech halted the project

• French Biotech want to in-license a potent and selective Phosphodiesterase inhibitor

• SAFAN analyzed the molecule versus related enzyme subtypes

• SAFAN in-silico results: the molecule is not selective

• Results confirmed in lab experiments

CASE STUDY 1

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CASE STUDY 2

Euroqsar 2016, Verona, Italy - September 4-8, 2016

● Three compounds from Boehringer Ingelheim

● Experimental data on original target known to

Boehringer Ingelheim

● No info provided to SAFAN

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Advantages

● Quantitative and true predictions

● Average errors comparable to experimental ones

● Classical structural bioinformatics methods can

support SAFAN-ISP analysis

● Your results are patentable

● Fast

● Costs savings

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S.A.F.AN. BIOINFORMATICS can help you

● Evaluate small molecules to be in-licensed

● Evaluate small molecules to be out-licensed

● Find unknown side effects

● Determine (new) drug-target interactions

● Reposition a drug

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CONTACTS

LUISA PUGLIESE, OWNER, CEO

S.A.F.AN. BIOINFORMATICS

VIA FULVIO CROCE 23/B TORINO

+390112767365

LUISA.PUGLIESE@SAFAN-BIOINFORMATICS.IT

www.safan-bioinformatics.it