The sequencing of genomes gave access to the complete set of building blocks for organisms of various species. A plethora of “-omics”-technologies has been developed to investigate the dynamic interactions of the building blocks in order to understand the functioning of living organisms. This has given rise to the clustering of proteins into target families based on the phylogenetic and structural similarities. In this chapter we will discuss how the concept of target families enables to investigate and modulate biochemical function in the quest to chart Chemical and Biological Spaces.