Table 3.
Overlap between drug candidates generated by the CANDO platform and those identified by Johansen et al. [28] as FDA approved actives.
| Compound(s) | Interaction Score | Consensus Score | Approved Indication | Mode of Action |
|---|---|---|---|---|
| Niclosamide * | 1.897 | 3 | helminthic infestation | inhibits parasite metabolism |
| Quinestrol | 1.897 | 3 | hormone replacement therapy | synthetic steroidal estrogen receptor agonist |
| Sertraline * | 1.897 | 1 | depression, anxiety | selective serotonin receptor inhibitor |
| Clomifene * | 1.897 | 1 | anovulation, oligoovulation | selective estrogen receptor modulator |
| Propoxyphene | 1.897 | 1 | mild to moderate pain | opiate receptor binder |
| Atovaquone | 1.897 | 1 | pneumocystis Pneumonia | dihydroorotate dehydrogenase inhibitor |
| Azelastine | 1.897 | 1 | allergic rhinitis | H1 histamine receptor inhibitor |
| Danazol | 1.897 | 1 | endometriosis | androgen receptor competitive inhibitor |
| Mebendazole * | 1.897 | 1 | helminthic infestation | tubulin destabilizer |
| Hydroxyprogesterone | 1.823 | 2 | preterm labor | steroidal progesterone receptor agonist |
| Deslanoside * | 1.377 | 10 | cardiac arrhythmia | sodium-potassium channel blocker |
| Digoxin * | 1.067 | 1 | cardiac arrhythmia | sodium-potassium channel blocker |
| Ritonavir | 1.057 | 2 | HIV infection | protease inhibitor |
| Raloxifene * | 0.843 | 2 | osteoporosis and breast cancer prevention | selective estrogen receptor modulator |
| Ciclesonide | 0.843 | 1 | asthma, allergic rhinitis | glucocorticoid receptor agonist |
| Clemastine * | 0.741 | 1 | allergies | H1 histamine receptor inhibitor |
| Podofilox | 0.741 | 1 | skin warts caused by Human papilloma virus | tubulin polymerization inhibitor |
| Tamoxifen * | 0.741 | 1 | estrogen receptor + breast cancer | selective estrogen receptor modulator |
| Desloratadine | 0.741 | 1 | allergies | H1 histamine receptor inhibitor |
| Methdilazine | 0.741 | 1 | allergy symptoms, antiemetic | H1 histamine receptor antagonist |
| Chlorcyclizine | 0.741 | 1 | allergy symptoms, antiemetic | H1 histamine receptor antagonist |
| Azacitidine | 0.712 | 1 | myelodysplastic syndrome | DNA methyl transferase inhibitor |
| Terconazole | 0.711 | 1 | fungal infection | ERG11/CYP51 inhibitor |
| Bromocriptine | 0.707 | 1 | pituitary tumors, Parkinson’s disease | dopamine receptor agonist |
* Drugs also identified by Kouznetsova et al. [27].