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. 2010 Jun 1;26(12):i246–i254. doi: 10.1093/bioinformatics/btq176

Table 2.

Examples of compound–protein pairs predicted by the proposed method for enzyme data

Pair Annotation
1 C04000 Benzyl 2-methyl-3-oxobutanoate
5743 prostaglandin-endoperoxide synthase 2

2 C04000 Benzyl 2-methyl-3-oxobutanoate
5742 prostaglandin-endoperoxide synthase 1

3 D05868 Sodium phenylbutyrate (USAN)
5742 prostaglandin-endoperoxide synthase 1

4 C07773 Ambenonium
43 acetylcholinesterase (Yt blood group)

5 D05619 Prodolic acid (USAN)
5742 prostaglandin-endoperoxide synthase 1

6 D05868 Sodium phenylbutyrate (USAN)
5743 prostaglandin-endoperoxide synthase 2

7 D02587 Metildigoxin (JP15)
476 ATPase, Na+/K+ transporting, alpha 1 polypeptide

8 C02505 2-Phenylacetamide
5743 prostaglandin-endoperoxide synthase 2

9 C15513 Benzyl acetate
5743 prostaglandin-endoperoxide synthase 2

10 C02505 2-Phenylacetamide
5742 prostaglandin-endoperoxide synthase 1

Because of space limitation, all the prediction pairs are put on the supplemental website.