Table 1. Selected predicted secondary targets of compound 1 in humans.
| Protein | AD Score | SOIPPA p-value | Sequence Identity | FATCAT p-value | |
| Metabolism | UDP-glucose 4-epimerase (1I3L:B) | −11.22 | 3% | 0.613 | |
| NAGK (2CH5:C) | −10.75 | 3.45×10−2 | 9% | 0.351 | |
| acetyl-CoA carboxylase 2 (2HJW:A) | −10.28 | 7.82×10−3 | 5% | 0.423 | |
| mitochondrial 2-enoyl thioester reductase (1ZSY:A) | −10.04 | <1×10−5 | 4% | 0.754 | |
| tubby isoform A (1S31:A) | −9.17 | 6% | 0.615 | ||
| DNA synthesis, repair, replication | DNA ligase I (1X9N:A, residues 535–751) | −9.70 | <1×10−5 | 5% | 3.82×10−3 |
| 3-methyl-adenine DNA glycosylase (1EWN:A) | −9.09 | 1.18×10−2 | 10% | 0.800 | |
| thymidylate synthase (1I00:A) | −8.50 | 3% | 0.237 | ||
| Amino acid synthesis | pyrroline-5-carboxylate reductase 1 (2GR9:B) | −10.49 | 4.28×10−2 | 1% | 0.702 |
| Blood clotting | fibrinogen (1FZE:B) | −9.53 | 4% | 0.626 | |
| Vision | tubby related 1 (2FIM:B) | −10.21 | 2.60×10−2 | 3% | 0.637 |
| Nuclear transport | snurportin-1 (1XK5:A) | −10.10 | <1×10−5 | 4% | 6.07×10−4 |
Human secondary targets are involved in metabolism; polynucleotide synthesis, repair, and replication; amino acid synthesis; blood clotting; vision; and nuclear transport. “AD score” refers to the AutoDock-predicted energy of binding to 1; “SOIPPA p-value” refers to the similarity between the secondary-target and TbREL1 active sites; “sequence identity” refers to the percent amino-acid identity with TbREL1 as computed by the CLUSTALW2 algorithm; and “FATCAT p-value” refers to the structural similarity between the secondary target and TbREL1. Protein sequences were extracted from PDB seqres headers.