Skip to main content
. 2019 Jan 24;9(2):43. doi: 10.3390/biom9020043

Table 4.

Examples of similarity maps generated by the NP classifier based on Morgan2 fingerprints.

Similarity Map 1 Name Source 2 NP Class Probability Disease Indication Year Introduced
graphic file with name biomolecules-09-00043-i001.jpg arglabin N 1.0 anticancer 1999
graphic file with name biomolecules-09-00043-i002.jpg cefonicid sodium ND 0.34 antibacterial 1984
graphic file with name biomolecules-09-00043-i003.jpg dutaseride ND 0.18 benign prostatic hypertrophy 2001
graphic file with name biomolecules-09-00043-i004.jpg vorapaxar ND 0.30 coronary artery disease 2014
graphic file with name biomolecules-09-00043-i005.jpg empagliflozin S*/NM 0.67 antidiabetic (diabetes 2) 2014
graphic file with name biomolecules-09-00043-i006.jpg belinostat S*/NM 0.09 anticancer 2014
graphic file with name biomolecules-09-00043-i007.jpg febuxostat S/NM 0.19 hyperuricemia 2009
graphic file with name biomolecules-09-00043-i008.jpg zalcitabine S* 0.46 antiviral 1992
graphic file with name biomolecules-09-00043-i009.jpg bilastine S 0.17 antihistamine 2011
graphic file with name biomolecules-09-00043-i010.jpg perampanel S 0.16 antiepileptic 2012

1 Green highlights mark atoms contributing to the classification of a molecule as NP, whereas orange highlights mark atoms contributing to the classification of a molecule as SM. 2 N: Unaltered NP; ND: NP derivative; S*: Synthetic drug (NP pharmacophore); S: Synthetic drug; NM: Mimic of NP. Definitions according to ref [5].