Table 5. Predicted results for validated DTIs related to COVID-19.
| Mode of action | Target name | Gene symbol | Drug name | Score* | Top percentage (rank)# |
|---|---|---|---|---|---|
| Activation | |||||
| Peroxisome proliferator-activated receptor gamma | PPARG | Ibuprofen | 0.89 | 21.52 (538) | |
| Peroxisome proliferator-activated receptor alpha | PPARA | Ibuprofen | 0.61 | 41.12 (1028) | |
| Nuclear receptor subfamily 1 group I member 2 | NR1I2 | Dexamethasone | 0.75 | 5.12 (128) | |
| Annexin A1 | ANXA1 | Dexamethasone | 0.17 | 48.36 (1209) | |
| Glucocorticoid receptor | NR3C1 | Dexamethasone | 0.97 | 1.48 (37) | |
| Mu-type opioid receptor | OPRM1 | Metenkephalin | 0.92 | 1.16 (29) | |
| Delta-type opioid receptor | OPRD1 | Metenkephalin | 0.96 | 1.28 (32) | |
| Inhibition | |||||
| Tumour necrosis factor | TNF | Chloroquine | 0.21 | 86.84 (2171) | |
| Glutathione S-transferase A2 | GSTA2 | Chloroquine | 0.11 | 74.64 (1866) | |
| Glutathione S-transferase Mu 1 | GSTM1 | Chloroquine | 0.15 | 71.68 (1792) | |
| Toll-like receptor 9 | TLR9 | Chloroquine | 0.09 | 59.08 (1477) | |
| High mobility group protein B1 | HMGB1 | Chloroquine | 0.10 | 65.44 (1636) | |
| Tubulin beta chain | TUBB | Colchicine | 0.10 | 58.84 (1471) | |
| Prostaglandin G/H synthase 2 | PTGS2 | Ibuprofen | 0.95 | 2.84 (71) | |
| Cystic fibrosis transmembrane conductance regulator | CFTR | Ibuprofen | 0.19 | 80.56 (2014) | |
| Glutamate receptor ionotropic, NMDA 2B | GRIN2B | Ifenprodil | 1.00 | 0.08 (2) | |
| Glutamate receptor ionotropic, NMDA 1 | GRIN1 | Ifenprodil | 0.78 | 6.28 (157) | |
| G protein-activated inward rectifier potassium channel 1 | KCNJ3 | Ifenprodil | 0.07 | 93.24 (2331) | |
| G protein-activated inward rectifier potassium channel 4 | KCNJ5 | Ifenprodil | 0.07 | 93.24 (2331) | |
| G protein-activated inward rectifier potassium channel 2 | KCNJ6 | Ifenprodil | 0.07 | 93.24 (2331) | |
| Histone deacetylase 1 | HDAC1 | Fingolimod | 0.69 | 17 (425) | |
| Tyrosine-protein kinase JAK3 | JAK3 | Baricitinib | 0.60 | 2.44 (61) | |
| Tyrosine-protein kinase JAK1 | JAK1 | Baricitinib | 0.44 | 2.76 (69) | |
| Tyrosine-protein kinase JAK2 | JAK2 | Baricitinib | 0.65 | 4.2 (105) | |
| Protein-tyrosine kinase 2-beta | PTK2B | Baricitinib | 0.14 | 27.2 (680) |
* Scores that exceed the model’s default threshold are in boldface.
# The top percentage and rank were calculated against the score for 2500 FDA-approved drugs and the corresponding genes.