*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Organism ID | NP ID | Organism Material Preparation | Organism Part | NP Quantity (Standard) | NP Quantity (Minimum) | NP Quantity (Maximum) | Quantity Unit | Reference |
---|
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | n.a. | 13332.2 | nM | PubChem BioAssay data set |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | Potency | n.a. | 33488.9 | nM | PubChem BioAssay data set |
NPT1163 | Individual Protein | Glutamate (NMDA) receptor subunit zeta 1 | Rattus norvegicus | IC50 | = | 7370.0 | nM | PMID[511002] |
NPT4202 | Individual Protein | Glutamate [NMDA] receptor subunit epsilon 3 | Rattus norvegicus | EC50 | = | 18100.0 | nM | PMID[511003] |
NPT4203 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Staphylococcus epidermidis (strain ATCC 35984 / RP62A) | IC50 | = | 300000.0 | nM | PMID[511007] |
NPT4204 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Escherichia coli K-12 | MIC | = | 4.0 | ug.mL-1 | PMID[511007] |
NPT4204 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Escherichia coli K-12 | MIC | = | 8.0 | ug.mL-1 | PMID[511007] |
NPT4204 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Escherichia coli K-12 | MIC | = | 1.0 | ug.mL-1 | PMID[511007] |
NPT4204 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Escherichia coli K-12 | MIC | = | 2.0 | ug.mL-1 | PMID[511007] |
NPT4204 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Escherichia coli K-12 | MIC | = | 32.0 | ug.mL-1 | PMID[511007] |
NPT4204 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Escherichia coli K-12 | MIC | = | 16.0 | ug.mL-1 | PMID[511007] |
NPT4204 | Individual Protein | UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase | Escherichia coli K-12 | MIC | > | 256.0 | ug.mL-1 | PMID[511007] |
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 6309.6 | nM | PMID[511025] |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 3981.1 | nM | PMID[511028] |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 3981.1 | nM | PMID[511029] |
NPT211 | Individual Protein | Hypoxia-inducible factor 1 alpha | Homo sapiens | Potency | = | 1584.9 | nM | PMID[511024] |
NPT282 | Individual Protein | MAP kinase ERK2 | Homo sapiens | Potency | = | 5011.9 | nM | PMID[511030] |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 50118.7 | nM | PMID[511025] |
NPT58 | Individual Protein | Bloom syndrome protein | Homo sapiens | Potency | = | 1.1 | nM | PMID[511031] |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 39810.7 | nM | PMID[511032] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 10000.0 | nM | PMID[511027] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 12589.3 | nM | PMID[511024] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 31622.8 | nM | PMID[511032] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 39810.7 | nM | PMID[511026] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 31622.8 | nM | PMID[511028] |
NPT212 | Individual Protein | Cytochrome P450 2C9 | Homo sapiens | Potency | = | 39810.7 | nM | PMID[511028] |
NPT212 | Individual Protein | Cytochrome P450 2C9 | Homo sapiens | Potency | = | 39810.7 | nM | PMID[511032] |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[511024] |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | n.a. | 44668.4 | nM | PMID[511025] |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | n.a. | 25.1 | nM | PMID[511031] |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | n.a. | 19952.6 | nM | PMID[511039] |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | n.a. | 39810.7 | nM | PMID[511040] |
NPT62 | Individual Protein | 6-phospho-1-fructokinase | Trypanosoma brucei | Potency | n.a. | 33807.8 | nM | PMID[511039] |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | n.a. | 8436.8 | nM | PMID[511039] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 12589.25 | nM | PMID[511024] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 10000.0 | nM | PMID[511027] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 31622.78 | nM | PMID[511028] |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 31622.78 | nM | PMID[511032] |
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | Ki | = | 4400000.0 | nM | PMID[511043] |
NPT1006 | Individual Protein | Proton-coupled amino acid transporter 1 | Homo sapiens | pKi | = | -0.64 | mM | PMID[511043] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | IC50 | > | 62.5 | ug.mL-1 | PMID[511047] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 18356.4 | nM | PMID[511048] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | IC50 | > | 100.0 | ug.mL-1 | PMID[511049] |
NPT4207 | Individual Protein | Alanine racemase | Mycobacterium tuberculosis | Inhibition | = | 10.0 | % | PMID[511053] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | IC50 | > | 6.25 | ug.mL-1 | PMID[511064] |
NPT189 | Cell Line | Vero | Chlorocebus aethiops | MNCC | > | 6.25 | ug ml-1 | PMID[511080] |
NPT2 | Others | Unspecified | Potency | n.a. | 5307.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 26832.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 23710.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 7.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 18833.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 7497.8 | nM | PubChem BioAssay data set | |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 0.25 | ug.mL-1 | PMID[511000] |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | = | 128.0 | ug.mL-1 | PMID[511000] |
NPT2897 | Organism | Citrobacter freundii | Citrobacter freundii | MIC | = | 2.0 | ug.mL-1 | PMID[511000] |
NPT2894 | Organism | Providencia rettgeri | Providencia rettgeri | MIC | = | 128.0 | ug.mL-1 | PMID[511000] |
NPT1248 | Organism | Serratia marcescens | Serratia marcescens | MIC | = | 128.0 | ug.mL-1 | PMID[511000] |
NPT4200 | Organism | Serratia liquefaciens | Serratia liquefaciens | MIC | = | 8.0 | ug.mL-1 | PMID[511000] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | MIC | = | 128.0 | ug.mL-1 | PMID[511000] |
NPT1033 | Organism | Enterobacter cloacae | Enterobacter cloacae | MIC | = | 2.0 | ug.mL-1 | PMID[511000] |
NPT4201 | Organism | Providencia alcalifaciens | Providencia alcalifaciens | MIC | = | 8.0 | ug.mL-1 | PMID[511000] |
NPT173 | Organism | Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | = | 8.0 | ug.mL-1 | PMID[511000] |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | = | 64.0 | ug.mL-1 | PMID[511000] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 0.5 | ug.mL-1 | PMID[511000] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 32.0 | ug.mL-1 | PMID[511000] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 128.0 | ug.mL-1 | PMID[511000] |
NPT1496 | Protein Complex | Glutamate NMDA receptor | Rattus norvegicus | EC50 | = | 2950.0 | nM | PMID[511002] |
NPT2 | Others | Unspecified | ME | = | 122.0 | % | PMID[511002] | |
NPT1496 | Protein Complex | Glutamate NMDA receptor | Rattus norvegicus | IC50 | = | 2300.0 | nM | PMID[511003] |
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 1.25 | mg.kg-1 | PMID[511003] |
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 3.0 | mg.kg-1 | PMID[511003] |
NPT2 | Others | Unspecified | IC50 | = | 250000.0 | nM | PMID[511004] | |
NPT2 | Others | Unspecified | Ki | = | 250000.0 | nM | PMID[511005] | |
NPT19 | Organism | Escherichia coli | Escherichia coli | Diameter | = | 39.0 | nm | PMID[511006] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | Diameter | = | 36.0 | nm | PMID[511006] |
NPT32 | Organism | Mus musculus | Mus musculus | Dose | = | 64.0 | % | PMID[511006] |
NPT32 | Organism | Mus musculus | Mus musculus | Dose | = | 45.0 | % | PMID[511006] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 63700.0 | nM | PMID[511008] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 60500.0 | nM | PMID[511008] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | > | 128000.0 | nM | PMID[511008] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 124800.0 | nM | PMID[511008] |
NPT2 | Others | Unspecified | IC50 | = | 314000.0 | nM | PMID[511009] | |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 16.0 | ug.mL-1 | PMID[511009] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 32.0 | ug.mL-1 | PMID[511009] |
NPT2 | Others | Unspecified | Ki | = | 22000.0 | nM | PMID[511010] | |
NPT2 | Others | Unspecified | Ki | = | 27000.0 | nM | PMID[511011] | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 128.0 | ug.mL-1 | PMID[511012] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 64.0 | ug.mL-1 | PMID[511012] |
NPT2 | Others | Unspecified | Inhibition | = | 3.0 | % | PMID[511013] | |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 64.0 | ug.mL-1 | PMID[511014] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 32.0 | ug.mL-1 | PMID[511014] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 16.0 | ug.mL-1 | PMID[511014] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 32.0 | ug.mL-1 | PMID[511014] |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | > | 128.0 | ug.mL-1 | PMID[511014] |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | = | 128.0 | ug.mL-1 | PMID[511014] |
NPT1531 | Organism | Enterococcus faecium | Enterococcus faecium | MIC | = | 64.0 | ug.mL-1 | PMID[511014] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 64.0 | ug.mL-1 | PMID[511014] |
NPT2 | Others | Unspecified | Ratio | = | 30.3 | n.a. | PMID[511014] | |
NPT19 | Organism | Escherichia coli | Escherichia coli | Activity | = | 0.5 | n.a. | PMID[511014] |
NPT19 | Organism | Escherichia coli | Escherichia coli | Activity | > | 5.0 | n.a. | PMID[511014] |
NPT2 | Others | Unspecified | Activity | > | 50.0 | % | PMID[511015] | |
NPT2 | Others | Unspecified | EC50 | = | 6309.57 | nM | PMID[511015] | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 50.0 | ug.mL-1 | PMID[511016] |
NPT605 | Organism | Homo sapiens | Homo sapiens | Activity | = | 0.73 | % | PMID[511017] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | Inhibition | = | 100.0 | % | PMID[511018] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | Inhibition | = | 80.0 | % | PMID[511018] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | Inhibition | = | 50.0 | % | PMID[511018] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC50 | = | 5.0 | ug.mL-1 | PMID[511018] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | MIC50 | = | 5.0 | ug.mL-1 | PMID[511020] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | MIC50 | = | 5.0 | ug.mL-1 | PMID[511020] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | Inhibition | = | 71.0 | % | PMID[511020] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | Inhibition | = | 50.0 | % | PMID[511020] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | Inhibition | = | 67.0 | % | PMID[511020] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | Inhibition | = | 50.0 | % | PMID[511020] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | FC | = | 3.41 | n.a. | PMID[511023] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | FC | = | 4.08 | n.a. | PMID[511023] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | FC | = | 4.6 | n.a. | PMID[511023] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | FC | = | 3.13 | n.a. | PMID[511023] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | FC | = | 15.63 | n.a. | PMID[511023] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 1.0 | ug.mL-1 | PMID[511023] |
NPT197 | Protein-Protein Interaction | Menin/Histone-lysine N-methyltransferase MLL | Homo sapiens | Potency | = | 14125.4 | nM | PMID[511024] |
NPT2 | Others | Unspecified | Potency | = | 1995.3 | nM | PMID[511026] | |
NPT93 | Individual Protein | Survival motor neuron protein | Homo sapiens | Potency | = | 14125.4 | nM | PMID[511024] |
NPT93 | Individual Protein | Survival motor neuron protein | Homo sapiens | Potency | = | 14125.4 | nM | PMID[511027] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | = | 17782.8 | nM | PMID[511025] |
NPT95 | Individual Protein | Muscarinic acetylcholine receptor M1 | Rattus norvegicus | Potency | = | 28183.8 | nM | PMID[511029] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 1.0 | ug.mL-1 | PMID[511033] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 8.0 | ug.mL-1 | PMID[511033] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 0.75 | ug.mL-1 | PMID[511033] |
NPT27 | Others | Unspecified | log10(%HIA +10) | = | 1.919 | n.a. | PMID[511034] | |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | ED50 | < | 2.2 | ug | PMID[511035] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | ED50 | = | 5.4 | ug | PMID[511035] |
NPT1101 | Organism | Staphylococcus aureus subsp. aureus RN4220 | Staphylococcus aureus subsp. aureus RN4220 | ED50 | = | 40.0 | ug | PMID[511035] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | > | 100.0 | ug.mL-1 | PMID[511035] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 50.0 | ug.mL-1 | PMID[511035] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 25.0 | ug.mL-1 | PMID[511035] |
NPT1101 | Organism | Staphylococcus aureus subsp. aureus RN4220 | Staphylococcus aureus subsp. aureus RN4220 | MIC | = | 100.0 | ug.mL-1 | PMID[511035] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 12.5 | ug.mL-1 | PMID[511035] |
NPT2 | Others | Unspecified | Activity | > | 100.0 | mAU | PMID[511036] | |
NPT2 | Others | Unspecified | Activity | = | 30.0 | mAU | PMID[511036] | |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 64.0 | ug.mL-1 | PMID[511036] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 16.0 | ug.mL-1 | PMID[511036] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 32.0 | ug.mL-1 | PMID[511036] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 64.0 | ug.mL-1 | PMID[511036] |
NPT1531 | Organism | Enterococcus faecium | Enterococcus faecium | MIC | = | 64.0 | ug.mL-1 | PMID[511036] |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | = | 128.0 | ug.mL-1 | PMID[511036] |
NPT19 | Organism | Escherichia coli | Escherichia coli | MIC | = | 32.0 | ug.mL-1 | PMID[511036] |
NPT2 | Others | Unspecified | Activity | = | 5087.0 | mAU | PMID[511036] | |
NPT2 | Others | Unspecified | Activity | = | 0.33 | mAU | PMID[511036] | |
NPT2 | Others | Unspecified | Activity | = | 2255.0 | mAU | PMID[511036] | |
NPT2 | Others | Unspecified | Activity | = | 0.12 | mAU | PMID[511036] | |
NPT2 | Others | Unspecified | Activity | = | 146.0 | mAU | PMID[511036] | |
NPT2 | Others | Unspecified | Activity | = | 181.0 | mAU | PMID[511036] | |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | = | 8.0 | ug.mL-1 | PMID[511037] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 16.0 | ug.mL-1 | PMID[511037] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | > | 16.0 | ug.mL-1 | PMID[511037] |
NPT800 | Individual Protein | M-phase phosphoprotein 8 | Homo sapiens | Potency | n.a. | 44668.4 | nM | PMID[511038] |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | n.a. | 657.3 | nM | PMID[511041] |
NPT533 | Protein-Protein Interaction | Runt-related transcription factor 1/Core-binding factor subunit beta | Homo sapiens | Potency | n.a. | 707.9 | nM | PMID[511026] |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | n.a. | 9528.3 | nM | PMID[511027] |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | n.a. | 23.8 | nM | PMID[511041] |
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | n.a. | 532.3 | nM | PMID[511039] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_bilirubinemia | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_cholecystitis | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_cholelithiasis | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_cirrhosis | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_elevated liver function tests | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_hepatic failure | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_hepatic necrosis | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_hepatitis | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_hepatomegaly | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_jaundice | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_liver disease | = | 1.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_liver fatty | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_liver function tests abnormal | = | 0.0 | n.a. | PMID[511042] |
NPT20596 | PHENOTYPE | Hepatotoxicity | n.a. | HepSE_Combined Scores | = | 1.0 | n.a. | PMID[511042] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | GI | = | 100.0 | % | PMID[511044] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | GI | = | 50.0 | % | PMID[511044] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 100.0 | % | PMID[511044] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 60.0 | % | PMID[511044] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 80.0 | % | PMID[511044] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 50.0 | % | PMID[511044] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 100.0 | % | PMID[511044] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI | = | 15.0 | % | PMID[511044] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | MIC50 | = | 1.0 | ug.mL-1 | PMID[511044] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | MIC50 | = | 5.0 | ug.mL-1 | PMID[511044] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 100.0 | % | PMID[511045] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 80.0 | % | PMID[511045] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 60.0 | % | PMID[511045] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | GI | = | 50.0 | % | PMID[511045] |
NPT115 | Organism | Mycobacterium tuberculosis H37Ra | Mycobacterium tuberculosis H37Ra | MIC50 | = | 5.0 | ug.mL-1 | PMID[511045] |
NPT2760 | Organism | Streptomyces scabiei | Streptomyces scabiei | IZ | = | 24.0 | mm | PMID[511046] |
NPT2760 | Organism | Streptomyces scabiei | Streptomyces scabiei | Activity | = | 44.0 | mm | PMID[511046] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | EC50 | = | 23550.0 | nM | PMID[511047] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | = | 100000.0 | nM | PMID[511047] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | EC90 | = | 28.01 | uM | PMID[511047] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | EC50 | = | 24760.0 | nM | PMID[511047] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | EC90 | = | 26.38 | uM | PMID[511047] |
NPT2 | Others | Unspecified | Selectivity Index | > | 17.0 | n.a. | PMID[511049] | |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | > | 10.2 | ug.mL-1 | PMID[511049] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | = | 4.9 | ug.mL-1 | PMID[511049] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | = | 5.0 | ug.mL-1 | PMID[511049] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | = | 4.8 | ug.mL-1 | PMID[511049] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC90 | = | 6.02 | ug.mL-1 | PMID[511049] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC90 | = | 13490.0 | nM | PMID[511050] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC50 | = | 12470.0 | nM | PMID[511050] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC90 | = | 13.49 | ug.mL-1 | PMID[511051] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC50 | = | 12.47 | ug.mL-1 | PMID[511051] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC90 | = | 25000.0 | nM | PMID[511051] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | Inhibition | = | 51.0 | % | PMID[511051] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | Inhibition | = | 93.9 | % | PMID[511051] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | Inhibition | = | 96.3 | % | PMID[511051] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | Inhibition | = | 97.7 | % | PMID[511051] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC90 | = | 25000.0 | nM | PMID[511052] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | EC90 | = | 13.49 | uM | PMID[511052] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | EC50 | = | 12470.0 | nM | PMID[511052] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | Ratio | = | 2.0 | n.a. | PMID[511053] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | Stability | < | 10.0 | % | PMID[511053] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (moderate) | = | 3.0 | n.a. | PMID[511054] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (moderate) | = | 13.0 | % | PMID[511054] |
NPT2 | Others | Unspecified | Hepatotoxicity (acute) | = | 2.0 | n.a. | PMID[511054] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (acute) | = | 5.4 | % | PMID[511054] |
NPT2 | Others | Unspecified | Hepatotoxicity (cytolytic) | = | 2.0 | n.a. | PMID[511054] | |
NPT2 | Others | Unspecified | Hepatotoxicity (choleostasis) | = | 0.0 | n.a. | PMID[511054] | |
NPT2 | Others | Unspecified | Hepatotoxicity (severe hepatitis) | = | 1.0 | n.a. | PMID[511054] | |
NPT2 | Others | Unspecified | Hepatotoxicity (chronic liver disease) | = | 0.0 | n.a. | PMID[511054] | |
NPT2 | Others | Unspecified | Hepatotoxicity (cirrhosis) | = | 0.0 | n.a. | PMID[511054] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (granulomatous hepatitis) | = | 0.0 | n.a. | PMID[511054] |
NPT2 | Others | Unspecified | Hepatotoxicity (association with vascular disease) | = | 0.0 | n.a. | PMID[511054] | |
NPT2 | Others | Unspecified | Hepatotoxicity (steatosis) | = | 0.0 | n.a. | PMID[511054] | |
NPT2 | Others | Unspecified | Hepatotoxicity (malignant tumour) | = | 0.0 | n.a. | PMID[511054] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Hepatotoxicity (benign tumour) | = | 0.0 | n.a. | PMID[511054] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 0.7 | nM | PMID[511055] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 5.3 | nM | PMID[511040] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 16.8 | nM | PMID[511040] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 530.5 | nM | PMID[511055] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 236.9 | nM | PMID[511040] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Potency | n.a. | 6.7 | nM | PMID[511055] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC50 | = | 12470.0 | nM | PMID[511057] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC90 | = | 13490.0 | nM | PMID[511057] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | = | 25000.0 | nM | PMID[511057] |
NPT621 | Tissue | Plasma | Homo sapiens | fCmax | = | 266.43 | uM | PMID[511058] |
NPT712 | Individual Protein | Bile salt export pump | Rattus norvegicus | IC50 | > | 1000000.0 | nM | PMID[511058] |
NPT713 | Individual Protein | Bile salt export pump | Homo sapiens | IC50 | > | 1000000.0 | nM | PMID[511058] |
NPT2 | Others | Unspecified | AC50 | n.a. | 570.0 | nM | PMID[511059] | |
NPT2 | Others | Unspecified | AC50 | n.a. | 1000.0 | nM | PMID[511059] | |
NPT2 | Others | Unspecified | Ac50 | n.a. | 0.5623 | uM | PMID[511059] | |
NPT2 | Others | Unspecified | AC50 | n.a. | 1584.9 | nM | PMID[511059] | |
NPT2 | Others | Unspecified | AC50 | n.a. | 3162.3 | nM | PMID[511059] | |
NPT2 | Others | Unspecified | Ac50 | n.a. | 1.0 | uM | PMID[511059] | |
NPT2 | Others | Unspecified | Ac50 | n.a. | 3.162 | uM | PMID[511059] | |
NPT2 | Others | Unspecified | Ac50 | n.a. | 1.585 | uM | PMID[511059] | |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC50 | = | 20800.0 | nM | PMID[511060] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | IC90 | = | 33100.0 | nM | PMID[511060] |
NPT790 | Organism | Mycobacterium tuberculosis H37Rv | Mycobacterium tuberculosis H37Rv | MIC | = | 50000.0 | nM | PMID[511060] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | MIC90 | = | 245000.0 | nM | PMID[511061] |
NPT602 | Organism | Mycobacterium smegmatis | Mycobacterium smegmatis | MIC | = | 105.0 | ug.mL-1 | PMID[511062] |
NPT713 | Individual Protein | Bile salt export pump | Homo sapiens | IC50 | > | 1000000.0 | nM | PMID[511063] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 25000.0 | nM | PMID[511064] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | IC90 | = | 13490.0 | nM | PMID[511064] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | IC50 | = | 12470.0 | nM | PMID[511064] |
NPT605 | Organism | Homo sapiens | Homo sapiens | DILI_severity_class | = | 3.0 | n.a. | PMID[511065] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 50000.0 | nM | PMID[511068] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | IC50 | = | 20800.0 | nM | PMID[511068] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | IC90 | = | 33100.0 | nM | PMID[511068] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition index | = | 1.427 | n.a. | PMID[511069] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -2.21 | % | PMID[511070] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 50.0 | ug.mL-1 | PMID[511071] |
NPT2 | Others | Unspecified | Ki | = | 25000.0 | nM | PMID[511071] | |
NPT26725 | SINGLE PROTEIN | D-alanine--D-alanine ligase | Enterococcus faecalis (strain ATCC 700802 / V583) | IC50 | = | 262000.0 | nM | PMID[511071] |
NPT26725 | SINGLE PROTEIN | D-alanine--D-alanine ligase | Enterococcus faecalis (strain ATCC 700802 / V583) | Inhibition | >= | 30.0 | % | PMID[511071] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 313000.0 | nM | PMID[511071] |
NPT175 | Organism | Enterococcus faecalis | Enterococcus faecalis | MIC | = | 1250000.0 | nM | PMID[511071] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 241600.0 | nM | PMID[511072] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 120900.0 | nM | PMID[511072] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | > | 245100.0 | nM | PMID[511072] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 167000.0 | nM | PMID[511072] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 196500.0 | nM | PMID[511072] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | = | 37100.0 | nM | PMID[511072] |
NPT20556 | SINGLE PROTEIN | Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | 23.75 | % | PMID[511073] |
NPT20556 | SINGLE PROTEIN | Replicase polyprotein 1ab | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | 29.49 | % | PMID[511074] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | 0.17 | % | PMID[511075] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | Inhibition | = | -0.09 | % | PMID[511076] |
NPT20 | Organism | Candida albicans | Candida albicans | Inhibition | = | 1.72 | % | PMID[511077] |
NPT85 | Organism | Filobasidiella neoformans | Cryptococcus neoformans | Inhibition | = | -5.65 | % | PMID[511077] |
NPT19 | Organism | Escherichia coli | Escherichia coli | Inhibition | = | 1.47 | % | PMID[511077] |
NPT173 | Organism | Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | = | 12.0 | % | PMID[511077] |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | = | 60.23 | % | PMID[511077] |
NPT747 | Organism | Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | = | 25.21 | % | PMID[511077] |
NPT2922 | Organism | Staphylococcus aureus subsp. aureus | Staphylococcus aureus subsp. aureus | Inhibition | = | 14.71 | % | PMID[511077] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC50 | = | 5.2 | ug.mL-1 | PMID[511078] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | GI | = | 71.0 | % | PMID[511078] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | GI | = | 50.0 | % | PMID[511078] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | GI | = | 67.0 | % | PMID[511078] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | GI | = | 50.0 | % | PMID[511078] |
NPT1108 | Organism | Mycobacterium bovis BCG | Mycobacterium bovis BCG | MIC50 | = | 5.1 | ug.mL-1 | PMID[511078] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | IC50 | > | 20000.0 | nM | PMID[511079] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | IC50 | > | 19952.62 | nM | PMID[511079] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | = | 25000.0 | nM | PMID[511080] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | IC90 | = | 13490.0 | nM | PMID[511080] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | IC50 | = | 12470.0 | nM | PMID[511080] |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC105488 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
0.6341 | Remote Similarity | NPC84444 |
0.6341 | Remote Similarity | NPC145217 |
0.623 | Remote Similarity | NPC118524 |
0.6226 | Remote Similarity | NPC329495 |
0.6 | Remote Similarity | NPC297220 |
0.6 | Remote Similarity | NPC470666 |
0.5833 | Remote Similarity | NPC226265 |
0.5833 | Remote Similarity | NPC219143 |
0.5769 | Remote Similarity | NPC153370 |
0.5652 | Remote Similarity | NPC25237 |
0.5641 | Remote Similarity | NPC262962 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC105488 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
1.0 | High Similarity | NPD8198 | Approved |
1.0 | High Similarity | NPD8197 | Approved |
0.623 | Remote Similarity | NPD8842 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD8217 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD8216 | Approved |
0.5769 | Remote Similarity | NPD8614 | Approved |
Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.