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Selection of protein targets with validated assays

Protein target binding domains vary, and so do the types of interactions the AI system needs to learn to succeed for any given target. The Enlace Bio virtual screening has been validated retrospectively across a range of different protein targets, and below is a selection of these.  Contact us to discuss your protein target of interest.

NTRK3

Protein structure of NTRK3 – NT-3 growth factor receptor

Class: Enzyme – Kinase

Uniprot ID: Q16288

Therapy area: Oncology

Sensitivity: 88%

Specificity: 90%

ATAD2

Protein structure of ATAD2 – ATPase family AAA domain-containing protein 2

Class: Epigenetic regulator

Uniprot ID: Q6PL18

Therapy area: Oncology

Sensitivity: 95%

Specificity: 83%

CFD

Protein structure of CFD – Complement factor D

Class: Enzyme – Protease

Uniprot ID: P00746

Therapy area: Immunology

Sensitivity: 97%

Specificity: 78%

PKMYT1

Protein structure of PKMYT1 – Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase

Class: Enzyme – Kinase

Uniprot ID: Q99640

Therapy area: Oncology

Sensitivity: 68%

Specificity: 86%

HSP90AB1

Protein structure of HSP90AB1 – Heat shock protein HSP 90-beta

Class: Molecular Chaperone

Uniprot ID: P08238

Therapy area: Oncology

Sensitivity: 79%

Specificity: 78%

And more

The system has been validated on many more targets and target classes.

Find out if it would work for your target.

Sensitivity measures the virtual screening’s ability to correctly identify high affinity compounds (<10 μM) and specificity measures its ability to correctly identify low affinity/non-binding compounds. The targets were validated retrospectively by comparing the AI system's ranking of affinity strength of compounds, compared to experimentally determined values. Experimental assays from 2022 onwards were included when calculating the metrics, and the system has only been trained or evaluated on data up to 2021 during development.

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