Table 2

Similarity search based on fused similarity: HSP90 inhibitors
Fused similarity GO fingerprint Structural fingerprint
Rank Compound Similarity Compound Similarity Compound Similarity
1 tanespimycin 0.7481 tanespimycin 0.7262 tanespimycin 0.8253
2 alvespimycin 0.6155 15-delta prostaglandin J2 0.5914 alvespimycin 0.7880
3 15-delta prostaglandin J2 0.5111 alvespimycin 0.5667 securinine 0.4055
4 thiostrepton 0.4894 sodium phenylbutyrate 0.5579 sirolimus 0.3826
5 scopolamine N-oxide 0.4785 scopolamine N-oxide 0.5568 tacrolimus 0.3723
6 monorden 0.4737 thiostrepton 0.5455 meclocycline 0.3524
7 cefsulodin 0.4693 nordihydroguaiaretic acid 0.5375 rifabutin 0.3516
8 tetracycline 0.4603 monorden 0.5366 chlortetracycline 0.3508
9 sodium phenylbutyrate 0.4550 prochlorperazine 0.5326 demeclocycline 0.3508
10 LY-294002 0.4544 cefsulodin 0.5294 5707885 0.3471

Geldanamycin was used as the query compound.

Top-ranked HSP90 inhibitors were marked in bold.

Xu et al.

Xu et al. BMC Bioinformatics 2012 13:75   doi:10.1186/1471-2105-13-75

Open Data