Epidemiological studies have shown that soy consumption is associated with lower incidence of various diseases, such as cancer. Over the past decades, soy proteins and derived peptides have been considered as potential preventive agents against the initiation, promotion and progression of cancer. Additionally, soybeans provide essential nutrients and abundant peptides and proteins with multiple bioactivities. Here, we specifically emphasise the chemoprevention property of several soy proteins/peptides, such as lectins, lunasin and protease inhibitors. Moreover, their anti-inflammatory and antioxidant properties, which have been demonstrated to be associated with chemopreventive properties, are addressed here. Furthermore, computational methods applied in this field are reviewed. Researchers navigate a large volume of data to understand the interactions among the genome, cellular molecules, dietary interventions, medical treatments and diseases. Numerous powerful tools have been recommended for designing an optimal strategy for future anti-cancer treatments with precise diagnosis and individualised approaches.