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Table 1 Area under the ROC curve of pairwise ProCare similarity scoresa

From: Unexpected similarity between HIV-1 reverse transcriptase and tumor necrosis factor binding sites revealed by computer vision

Target Site Number of subpocketsb ROCAUC
HIV-1 RT Non-nucleoside 195 (122) 0.84
β2 adrenergic receptor Orthosteric 14 (14) 0.35
Carbonic anhydrase II Catalytic 183 (137) 0.38
Cyclin-dependent kinase 2 Catalytic 461 (274) 0.63
Heat shock protein 90α Catalytic 214 (117) 0.64
Thrombin Catalytic 253 (126) 0.35
  1. aFor each target, the similarity scores of the corresponding subpockets (actives) and decoys (any other subpocket) to the TNF-α query (PDB ID 6OOY) are used to compute the area under the ROC curve
  2. bTotal number of subpockets for the corresponding target. The number of PDB entries are in brackets