Navigating the Human Metabolome for Biomarker Identification and Design of Pharmaceutical Molecules

Figure 4

Similarity network of 2-pyrocatechuic acid. Pink nodes indicate human metabolites from HMDB and green nodes indicate natural compounds from CNPD. Node labels denote the respective ID codes of the compounds. The nodes are linked when the two compounds have 𝑇𝑐≥0.85. Due to the high number of pairs with similarity between 0.85 and 0.90, we included in the figure only connections of 𝑇𝑐≥0.90 to allow better visualization of the network. The width and color of the edges are analogous to the value of 𝑇𝑐: Cyan: 0.90≤𝑇𝑐<0.95, Blue: 0.95≤𝑇𝑐<1.0, Black: 𝑇𝑐=1. The two nodes in yellow denote 2-pyrocatechuic acid with HMDB ID and CAS registry number, respectively.