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. 2016 Nov 25;21(12):1537. doi: 10.3390/molecules21121537

Table 2.

Overlap between drug candidates identified by the CANDO platform and those identified by Kouznetsova et al. [27].

Compound(s) Interaction Score Consensus Score Approved Indication Mode of Action
Niclosamide * 1.897 3 helminthic infestation inhibits parasite metabolism
Sertraline * 1.897 1 depression, anxiety selective serotonin receptor inhibitor
Clomifene * 1.897 1 anovulation, oligoovulation selective estrogen receptor modulator
Alverine 1.897 1 gastrointestinal muscle spasms parasympathetic nervous system modulator
Aprindine 1.897 1 cardiac arrhythmia sodium channel inhibitor
Mebendazole * 1.897 1 helminthic infestation tubulin destabilizer
Salmeterol 1.890 2 asthma beta 2 adrenergic receptor agonist
Topotecan 1.823 1 ovarian and lung cancers DNA topoisomerase I inhibitor
Deslanoside * 1.377 10 cardiac arrhythmia sodium-potassium channel blocker
Propafenone 1.298 10 cardiac arrhythmia sodium channel blocker
Digoxin * 1.067 1 cardiac arrhythmia sodium-potassium channel blocker
Proglumetacin 1.058 1 non-steroidal anti-inflammatory drug cyclooxygenase-1 inhibitor
Posaconazole 1.023 3 fungal infection (aspergillus and candida) membrane bound enzyme inhibitor
Raloxifene * 0.843 2 osteoporosis and breast cancer prevention selective estrogen receptor modulator
Clarithromycin 0.741 2 bacterial infections protein synthesis inhibitor
Clemastine * 0.741 1 allergies H1 histamine receptor inhibitor
Colchicine 0.741 1 gout, pericarditis microtubule inhibitor
Tamoxifen * 0.741 1 estrogen receptor positive breast cancer Selective estrogen receptor modulator
Thiothixene 0.741 1 psychotic disorders, e.g., schizophrenia dopamine antagonist
Daunorubicin 0.714 1 hematologic dyscrasia (acute lymphocytic leukemia, acute myeloid leukemia) DNA topoisomerase II inhibitor
Dronedarone 0.722 1 cardiac arrhythmia potassium channel blocker
Vincristine 0.707 1 hematologic dyscrasia (acute lymphocytic leukemia, acute myeloid leukemia) microtubule inhibitor

* Drugs also identified by Johansen et al. [28].