Table 1 Summarized interpretation of top 10 components. Group A and B are the subcomponents of Figure 3

1

Classic growth factor signaling: (MAP and protein kinase signaling)

Sulfonamides, antibiotics, carbonic anhydrase inhibitors

Antipsychotic and antihistaminic compounds

High lipophilicity

2

DNA damage

Contrast agents, antibiotics,

DNA damaging agents, antimetabolites

Strong lipophilic areas emphasized

3

Stress response, mitochondrial and anabolic metabolism

DNA damaging agents

GPCR antagonists, ion channel blockers

Polar interactions enriched

4

Cytoskeleton, cell adhesion and migration

GPCR liganda, macrocyclic cmpds and contrast agents

Beta adrenergic agonists, other GPCR ligands

N/A

5

Differentiation, EMT, stemness

NSAIDS, cAMP signaling promoting compounds

HDAC Inhibitors, HDAC-like

Significantly enriched with pharmacophoric features*

6

Inflammatory and differentiation signaling

N/A

Protein synthesis inhibitors, anti-diabetics, cardiac glycosides

Pharmacophoric features*

7

GPCR and cytokine signaling

N/A

Cardiac glycosides, cephalosporins

Pharmacophoric features*

8

Growth factor and cell adhesion signaling

Cardiac glycosides

β-adrenergic agonists, Ca²⁺ channel blockers

Integy-moment and significant pharmacophoric enriched*

9

Amino acid and nitrogen metabolism

Protein synthesis inhibitors

Anti-diabetics

Integy-moment and significant pharmacophoric enriched*

10

Cancer signaling

DNA damaging agents

Corticosteroids, ionophores

Size shape type descriptors