All predicted reactions and all recorded reactions producing the target product t are combined into the local database. From the 18,682 molecules and 3,079 single-step reactions parsed from KEGG database, with one iteration of the reaction prediction workflow, 32,990 reactions were predicted, among which 20,568 reactions were either redundant (predicted reactions being previously reported within KEGG or Reaxys records), or not able to use the proposed method to find suitable enzymes to catalyse. After removing the redundant and invalid reactions, 12,422 predicted reactions were added into the local reaction database. To increase the analogue reaction knowledge base we assumed both reaction directions were possible.