Computational tools for predicting novel substrates for a class of enzymes

Question

[yarrowmadrona]

Does anyone have experience with computational tools that would allow prediction of novel substrates for a given class of enzymes? For example, something that good give confidence in predicting novel combinations of enzymes/substrates. A requirement is that the substrate is turned over by the enzyme with the same chemical modifications occurring in the novel substrate as occurs in the known substrate.

I have found: https://github.com/AlexanderKroll/ESP https://esp.cs.hhu.de/

But I have not used this tool. Thank you.