Table 6 Results from the final screening phase in which all 93 ‘active’ compounds were labeled according their predicted pharmacological target
Target | # | Cross-validated precision ± SD |
|---|---|---|
Acetylcholinesterase | 25 | 0.742 ± 0.028 |
Tyrosine-protein kinase SRC | 10 | 0.532 ± 0.038 |
Dopamine D3 receptor | 9 | 0.668 ± 0.024 |
Peroxisome proliferator-activated receptor γ | 5 | 0.384 ± 0.022 |
Thrombin | 5 | 0.425 ± 0.022 |
Tyrosine-protein kinase LCK | 4 | 0.570 ± 0.035 |
Peroxisome proliferator-activated receptor α | 4 | 0.331 ± 0.031 |
ADAM17 | 2 | 0.487 ± 0.033 |
β-2 adrenergic receptor | 2 | 0.520 ± 0.033 |
Epidermal growth factor receptor erbB1 | 2 | 0.559 ± 0.028 |
Protein farnesyl transferase/geranylgeranyl transferase type I α subunit | 2 | 0.469 ± 0.022 |
Histone deacetylase 8 | 2 | 0.460 ± 0.037 |
TGF-β receptor type I | 2 | 0.818 ± 0.043 |
Cyclin-dependent kinase 2 | 1 | 0.649 ± 0.041 |
Cytochrome P450 3A4 | 1 | 0.742 ± 0.088 |
Coagulation factor VII | 1 | 0.657 ± 0.050 |
Focal adhesion kinase 1 | 1 | 0.661 ± 0.033 |
Farnesyl diphosphate synthase | 1 | 0.980 ± 0.016 |
β-glucocerebrosidase | 1 | 0.861 ± 0.082 |
Histone deacetylase 2 | 1 | 0.415 ± 0.048 |
Human immunodeficiency virus type 1 protease | 1 | 0.435 ± 0.029 |
HMG-CoA reductase | 1 | 0.640 ± 0.059 |
Stem cell growth factor receptor | 1 | 0.474 ± 0.059 |
MAP kinase-activated protein kinase 2 | 1 | 0.805 ± 0.053 |
Poly [ADP-ribose] polymerase-1 | 1 | 0.597 ± 0.014 |
Peroxisome proliferator-activated receptor γ | 1 | 0.467 ± 0.035 |
Dihydroorotate dehydrogenase | 1 | 0.870 ± 0.042 |
Renin | 1 | 0.704 ± 0.061 |
Retinoid X receptor α | 1 | 0.811 ± 0.027 |
Trypsin I | 1 | 0.363 ± 0.010 |
Tryptase β-1 | 1 | 0.627 ± 0.059 |
Vascular endothelial growth factor receptor 2 | 1 | 0.512 ± 0.036 |