Table 1. Metabolic enzyme targets and their best links to MDDR.
| Enzyme Targeta | EC# | Best Hit MDDR Drug Set | Best Hit E-value |
| Adenosine kinase | 2.7.1.20 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 4.38E-288 |
| Adenosylmethionine decarboxylase | 4.1.1.50 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 2.71E-216 |
| Thromboxane-A synthase | 5.3.99.5 | Prostaglandin | 1.66E-204 |
| Adenosylhomocysteinase | 3.3.1.1 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 4.73E-203 |
| Adenosine deaminase | 3.5.4.4 | Adenosine (A1) Agonist | 7.69E-159 |
| Thymidine kinase | 2.7.1.21 | Thymidine Kinase Inhibitor | 3.19E-151 |
| Dihydrofolate reductase | 1.5.1.3 | Glycinamide Ribonucleotide Formyltransferase Inhibitor | 1.02E-134 |
| Catechol O-methyltransferase | 2.1.1.6 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 4.67E-127 |
| Prostaglandin-endoperoxide synthase | 1.14.99.1 | Prostaglandin | 8.57E-110 |
| Purine-nucleoside phosphorylase | 2.4.2.1 | Adenosine (A1) Agonist | 8.35E-105 |
| Ribose-phosphate pyrophosphokinase | 2.7.6.1 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 4.33E-91 |
| Phosphoribosylglycinamide formyltransferase | 2.1.2.2 | Glycinamide Ribonucleotide Formyltransferase Inhibitor | 1.55E-82 |
| Phosphoribosylaminoimidazolecarboxamide formyltransferase | 2.1.2.3 | Glycinamide Ribonucleotide Formyltransferase Inhibitor | 9.12E-80 |
| 3′,5′-cyclic-nucleotide phosphodiesterase | 3.1.4.17 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 1.23E-77 |
| Thymidylate synthase | 2.1.1.45 | Thymidylate Synthetase Inhibitor | 2.54E-75 |
| Steryl-sulfatase | 3.1.6.2 | Aromatase Inhibitor | 4.90E-62 |
| Guanylate cyclase | 4.6.1.2 | Purine Nucleoside Phosphorylase Inhibitor | 2.68E-60 |
| Cholestenone 5-alpha-reductase | 1.3.1.22 | Steroid (5alpha) Reductase Inhibitor | 3.63E-60 |
| Steroid 17-alpha-monooxygenase | 1.14.99.9 | Steroid (5alpha) Reductase Inhibitor | 1.37E-58 |
| RNA-directed DNA polymerase | 2.7.7.49 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 1.06E-52 |
| Alpha-glucosidase | 3.2.1.20 | Glucosidase (alpha) Inhibitor | 1.00E-51 |
| Farnesyl-diphosphate farnesyltransferase | 2.5.1.21 | Squalene Synthase Inhibitor | 2.12E-46 |
| Beta-galactosidase | 3.2.1.23 | Glucosidase (alpha) Inhibitor | 4.04E-46 |
| Sterol esterase | 3.1.1.13 | Phospholipase A2 Inhibitor | 3.18E-44 |
| Leukotriene-A4 hydrolase | 3.3.2.6 | Prostaglandin | 5.16E-40 |
| Squalene monooxygenase | 1.14.99.7 | Squalene Synthase Inhibitor | 7.59E-40 |
| Ribonucleoside-diphosphate reductase | 1.17.4.1 | S-Adenosyl-L-Homocysteine Hydrolase Inhibitor | 2.47E-38 |
| 3-hydroxyanthranilate 3,4-dioxygenase | 1.13.11.6 | 3-Hydroxyanthranilate Oxygenase Inhibitor | 1.14E-33 |
| Dihydroorotase | 3.5.2.3 | Dihydroorotase Inhibitor | 2.25E-32 |
| Nitric-oxide synthase | 1.14.13.39 | Nitric Oxide Synthase Inhibitor | 8.86E-28 |
| Phospholipase A2 | 3.1.1.4 | Phospholipase A2 Inhibitor | 9.82E-26 |
| Diaminopimelate epimerase | 5.1.1.7 | Nitric Oxide Synthase Inhibitor | 2.43E-24 |
| Membrane dipeptidase | 3.4.13.19 | Nitric Oxide Synthase Inhibitor | 2.81E-23 |
| 3-alpha(or 20-beta)-hydroxysteroid dehydrogenase | 1.1.1.53 | Aromatase Inhibitor | 1.51E-22 |
| Sterol O-acyltransferase | 2.3.1.26 | Adenosine (A2) Agonist | 4.95E-22 |
| Hydroxymethylglutaryl-CoA reductase (NADPH) | 1.1.1.34 | Adenosine (A2) Agonist | 4.95E-22 |
| IMP dehydrogenase | 1.1.1.205 | Adenosine (A1) Agonist | 8.98E-17 |
| ATP-citrate (pro-S-)-lyase | 4.1.3.8 | Adenosine (A2) Agonist | 1.83E-15 |
| Glutamate–cysteine ligase | 6.3.2.2 | Nitric Oxide Synthase Inhibitor | 2.71E-11 |
| Dopamine-beta-monooxygenase | 1.14.17.1 | Adrenergic (beta1) Agonist | 3.81E-11 |
| Lanosterol synthase | 5.4.99.7 | Squalene Synthase Inhibitor | 1.38E-10 |
| Nucleoside-diphosphate kinase | 2.7.4.6 | P2T Purinoreceptor Antagonist | 2.76E-10 |
a
Exact matches (the enzyme is the canonical target of the best MDDR hit) are shown in bold type, pathway matches (the enzyme shares the same pathway as the canonical target of the best MDDR hit) are shown in italic type, and enzymes not in the same pathway as the canonical target are shown in regular type.