The time-dependent Maxwell nanofluid flow with thermophoretic particle deposition is examined in this study by considering the solid–liquid interfacial layer and nanoparticle diameter. The governing partial differential equations are reduced to ordinary differential equations using suitable similarity transformations. Later, these reduced equations are solved using Runge–Kutta–Fehlberg’s fourth and fifth-order method via a shooting approach. An artificial neural network serves as a surrogate model, making quick and precise predictions about the behaviour of nanofluid flow for various input parameters. The impact of dimensionless parameters on flow, heat, and mass transport is determined via graphs. The results reveal that the velocity profile drops with an upsurge in unsteadiness parameter values and Deborah number values. The rise in space and temperature-dependent heat source/sink parameters value increases the temperature. The concentration profile decreases as the thermophoretic parameter upsurges. Finally, the method’s correctness and stability are confirmed by the fact that the maximum number of values is near the zero-line error. The zero error is attained near the values 2.68×10−6, 2.14×10−9, and 8.5×10−7 for the velocity, thermal, and concentration profiles, respectively.