Synthetic repurposing of drugs against hypertension: a datamining method based on association rules and a novel discrete algorithm

Masoudi-Sobhanzadeh, Yosef; Masoudi-Nejad, Ali

doi:10.1186/s12859-020-03644-w

Table 6 The outcomes of the proposed algorithm on the selected drugs

From: Synthetic repurposing of drugs against hypertension: a datamining method based on association rules and a novel discrete algorithm

Given drug	Chemical formula	Proposed lists	Drugs of the list	Chemical formula	Similarity
Trandolapril	C₂₄H₃₄N₂O₅	(Cilazapril)	Cilazapril	C₂₂H₃₁N₃O₅	0.87
Atenolol	C₁₄H₂₂N₂O₃	(Esmolol)	Esmolol	C₁₆H₂₅NO₄	0.75
Carteolol	C₁₆H₂₄N₂O₃	(Xamoterol+Nebivolol)	Xamoterol	C₁₆H₂₅N₃O₅	0.80
Carteolol	C₁₆H₂₄N₂O₃	(Xamoterol+Nebivolol)	Nebivolol	C₂₂H₂₅F₂NO₄	0.58
Nicardipine	C₂₆H₂₉NO₆	(Cyclandelate+Nisoldipine), (Drotaverine+Nisoldipine)	Cyclandelate	C₁₇H₂₄O₃	0.49
			Nisoldipine	C₂₀H₂₄N₂O₆	0.82
			Drotaverine	C₂₄H₃₁NO₄	0.71
Felodipine	C₁₈HCl₂NO₄	(Pinaverium+ Nisoldipine)	Pinaverium	C₂₆H₄₁BrNO₄	0.35
Felodipine	C₁₈HCl₂NO₄	(Pinaverium+ Nisoldipine)	Nisoldipine	C₂₀H₂₄N₂O₆	0.57
Nifedipine	C₁₇H₁₈N₂O₆	(Pinaverium + Nisoldipine)	Pinaverium	C₂₆H₄₁BrNO₄	0.35
Nifedipine	C₁₇H₁₈N₂O₆	(Pinaverium + Nisoldipine)	Nisoldipine	C₂₀H₂₄N₂O₆	0.90
Nisoldipine	C₂₀H₂₄N₂O₆	(Pinaverium+Isradipine), (Pinaverium+Drotaverine+Nilvadipine)	Pinaverium	C₂₆H₄₁BrNO₄	0.40
			Isradipine	C₁₉H₂₁N₃O₅	0.83
			Drotaverine	C₂₄H₃₁NO₄	0.69
			Nilvadipine	C₁₉H₁₉N₃O₆	0.85
Doxazosin	C₂₃H₂₅N₅O₅	(Nicergoline)	Nicergoline	C₂₄H₂₆BrN₃O₃	0.50
Prazosin	C₁₉H₂₁N₅O₄	(Dapiprazole), (Nicergoline+Tamsulosin), (Nicergoline+Periciazine+Dapiprazole)	Dapiprazole	C₁₉H₂₇N₅	0.69
			Nicergoline	C₂₄H₂₆BrN₃O₃	0.47
			Tamsulosin	C₂₀H₂₈N₂O₅S	0.58
			Periciazine	C₂₁H₂₃N₃OS	0.53

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