Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota |
PMID[20192247] |
|||
NPO16609 | Ganoderma sinense | Species | Ganodermataceae | Eukaryota | TM-MC* | |||
NPO22079 | Paulownia tomentosa | Species | Paulowniaceae | Eukaryota | fruits |
PMID[22445674] |
||
NPO23256 | Mentha arvensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO13857 | Mentha canadensis | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO16308 | Citrus wilsonii | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO21771 | Citrus trifoliata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO21072 | Rhododendron dauricum | Species | Ericaceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[17426744] |
||
NPO2211 | Solanum nigrum | Species | Solanaceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[20809621] |
||
NPO25653 | Spatholobus suberectus | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood |
PMID[20441150] |
||
NPO1596 | Taraxacum borealisinense | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO19231 | Sophora flavescens | Species | Fabaceae | Eukaryota | TCM_Taiwan* | |||
NPO23327 | Taraxacum coreanum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO19787 | Citrus sinensis | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO26785 | Taraxacum mongolicum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO26785 | Taraxacum mongolicum | Species | Asteraceae | Eukaryota | TCM_Taiwan* | |||
NPO26622 | Taraxacum officinale | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO31050 | Isatis indigotica | Species | Brassicaceae | Eukaryota | TCM_Taiwan* | |||
NPO319 | Citrus limon | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO13668 | Taraxacum platycarpum | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TCM_Taiwan* | |||
NPO12935 | Thymus quinquecostatus | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO8789 | Schizonepeta tenuifolia | Species | Lamiaceae | Eukaryota | TCM_Taiwan* | |||
NPO19472 | Thymus vulgaris | Species | Lamiaceae | Eukaryota | TM-MC* | |||
NPO4843 | Gossampiniflos | NA | NA | NA | TCMSP* | |||
NPO7565 | Allium azureum ledeb | Species | Amaryllidaceae | Eukaryota | TCMSP* | |||
NPO29542 | Lobeliae chinensis herba | NA | NA | NA | TCMSP* | |||
NPO29646 | Citri fructus | NA | NA | NA | TCMSP* | |||
NPO29650 | Lysimachiae herba | NA | NA | NA | TCMSP* | |||
NPO1736 | Stephaniae tetrandrae radix | NA | NA | NA | TCMSP* | |||
NPO29623 | Echinopsis radix | Species | Cactaceae | Eukaryota | TCMSP* | |||
NPO29640 | Schizonepetae spica | NA | NA | NA | TCMSP* | |||
NPO21637 | Aurantii fructus | NA | NA | NA | TCMSP* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO27288 | Citrus maxima | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO15730 | Citrus medica | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO5270 | Citrus natsudaidai | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25443 | Citrus reticulata | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO19787 | Citrus sinensis | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO10082 | Citrus unshiu | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO16308 | Citrus wilsonii | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25269 | Ganoderma lucidum | Species | Ganodermataceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1 | Others | Radical scavenging activity | IC25 | = | 0.083 | nM | 17166721 | |
NPT2 | Others | Unspecified | IC25 | = | 0.647 | nM | 17166721 | |
NPT492 | Cell Line | Caco-2 | Homo sapiens | Activity | = | 34.1 | % | 18249545 |
NPT492 | Cell Line | Caco-2 | Homo sapiens | Activity | = | 70.1 | % | 18249545 |
NPT2 | Others | Unspecified | Activity | = | 84 | % | 18249545 | |
NPT492 | Cell Line | Caco-2 | Homo sapiens | Ratio | = | 0.6 | 18249545 | |
NPT2 | Others | Unspecified | ID50 | = | 20.9 | nM | 1378087 | |
NPT2 | Others | Unspecified | ID50 | = | 22.1 | nM | 1378087 | |
NPT2 | Others | Unspecified | IC50 | = | 2100 | nM | 8882428 | |
NPT1580 | Individual Protein | Salivary alpha-amylase | Homo sapiens | Inhibition | = | 39.8 | % | 18507367 |
NPT1587 | Individual Protein | Estradiol 17-beta-dehydrogenase 1 | Homo sapiens | Activity | = | 44 | % | 18533708 |
NPT1588 | Individual Protein | Estradiol 17-beta-dehydrogenase 2 | Homo sapiens | Activity | = | 36.4 | % | 18533708 |
NPT71 | Cell Line | HEK293 | Homo sapiens | FC | = | 2.4 | 19307119 | |
NPT99 | Individual Protein | Peroxisome proliferator-activated receptor gamma | Homo sapiens | FC | = | 1.5 | 19807106 | |
NPT99 | Individual Protein | Peroxisome proliferator-activated receptor gamma | Homo sapiens | FC | = | 3.8 | 19807106 | |
NPT866 | Individual Protein | Peroxisome proliferator-activated receptor alpha | Homo sapiens | FC | = | 1.9 | 19807106 | |
NPT866 | Individual Protein | Peroxisome proliferator-activated receptor alpha | Homo sapiens | FC | = | 2 | 19807106 | |
NPT35 | Others | n.a. | Activity | = | 0.403 | MU | 19944611 | |
NPT2 | Others | Unspecified | Activity | = | 1.37 | MU | 19944611 | |
NPT2 | Others | Unspecified | Activity | = | 0.268 | MU | 19944611 | |
NPT35 | Others | n.a. | Activity | = | 101.1 | ug/ml | 19944611 | |
NPT83 | Cell Line | MCF7 | Homo sapiens | EC50 | > | 10000 | nM | 20192247 |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | EC50 | > | 10000 | nM | 20192247 |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | EC50 | > | 10000 | nM | 20192247 |
NPT2015 | Cell Line | U-266 | Homo sapiens | EC50 | > | 10000 | nM | 20192247 |
NPT165 | Cell Line | HeLa | Homo sapiens | EC50 | > | 10000 | nM | 20192247 |
NPT1160 | Cell Line | BJ | Homo sapiens | EC50 | > | 10000 | nM | 20192247 |
NPT1970 | Cell Line | THP-1 | Homo sapiens | EC50 | > | 10000 | nM | 20192247 |
NPT1603 | Individual Protein | Cytochrome P450 1A1 | Homo sapiens | IC50 | = | 2786 | nM | 20696580 |
NPT1604 | Individual Protein | Cytochrome P450 1B1 | Homo sapiens | IC50 | = | 511 | nM | 20696580 |
NPT208 | Individual Protein | Cytochrome P450 1A2 | Homo sapiens | IC50 | = | 34647 | nM | 20696580 |
NPT2 | Others | Unspecified | Potency | = | 25118.9 | nM | PubChem BioAssay data set | |
NPT537 | Individual Protein | Ras-related protein Rab-9A | Homo sapiens | Potency | = | 6309.6 | nM | PubChem BioAssay data set |
NPT210 | Individual Protein | Thyroid stimulating hormone receptor | Homo sapiens | Potency | = | 2511.9 | nM | PubChem BioAssay data set |
NPT213 | Individual Protein | Cytochrome P450 2C19 | Homo sapiens | Potency | = | 5011.9 | nM | PubChem BioAssay data set |
NPT213 | Individual Protein | Cytochrome P450 2C19 | Homo sapiens | Potency | = | 7943.3 | nM | PubChem BioAssay data set |
NPT531 | Individual Protein | Nuclear receptor ROR-gamma | Mus musculus | Potency | = | 6309.6 | nM | PubChem BioAssay data set |
NPT211 | Individual Protein | Hypoxia-inducible factor 1 alpha | Homo sapiens | Potency | = | 5011.9 | nM | PubChem BioAssay data set |
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Potency | = | 6513.1 | nM | PubChem BioAssay data set | |
NPT56 | Individual Protein | Beta-lactamase AmpC | Escherichia coli K-12 | Potency | = | 5623.4 | nM | PubChem BioAssay data set |
NPT538 | Individual Protein | Niemann-Pick C1 protein | Homo sapiens | Potency | = | 5623.4 | nM | PubChem BioAssay data set |
NPT282 | Individual Protein | MAP kinase ERK2 | Homo sapiens | Potency | = | 3981.1 | nM | PubChem BioAssay data set |
NPT524 | Individual Protein | Serine-protein kinase ATM | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT149 | Individual Protein | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Homo sapiens | Potency | = | 12589.3 | nM | PubChem BioAssay data set |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | = | 25118.9 | nM | PubChem BioAssay data set |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Potency | = | 39810.7 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT212 | Individual Protein | Cytochrome P450 2C9 | Homo sapiens | Potency | = | 15848.9 | nM | PubChem BioAssay data set |
NPT212 | Individual Protein | Cytochrome P450 2C9 | Homo sapiens | Potency | = | 10000 | nM | PubChem BioAssay data set |
NPT43 | Individual Protein | Tyrosinase | Agaricus bisporus | Inhibition | = | 0 | % | 21226489 |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 29081 | nM | PubChem BioAssay data set | |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | 11220.2 | nM | PubChem BioAssay data set | |
NPT212 | Individual Protein | Cytochrome P450 2C9 | Homo sapiens | AC50 | = | 10000 | nM | PubChem BioAssay data set |
NPT109 | Individual Protein | Cytochrome P450 3A4 | Homo sapiens | AC50 | = | 10000 | nM | PubChem BioAssay data set |
NPT213 | Individual Protein | Cytochrome P450 2C19 | Homo sapiens | AC50 | = | 5011.87 | nM | PubChem BioAssay data set |
NPT208 | Individual Protein | Cytochrome P450 1A2 | Homo sapiens | AC50 | = | 3162.28 | nM | PubChem BioAssay data set |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | AC50 | = | 10000 | nM | PubChem BioAssay data set |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 207.9 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 100000 | nM | PubChem BioAssay data set | |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | 1311.5 | nM | PubChem BioAssay data set | |
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | 15101.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 12589.3 | nM | PubChem BioAssay data set | ||
NPT204 | Individual Protein | Acetylcholinesterase | Homo sapiens | IC50 | = | 2476100 | nM | 22445674 |
NPT2569 | Individual Protein | Butyrylcholinesterase | Equus caballus | IC50 | = | 1774100 | nM | 22445674 |
NPT1631 | Individual Protein | Solute carrier organic anion transporter family member 1A5 | Rattus norvegicus | Activity | = | 40 | % | 11823753 |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | 15848.9 | nM | PubChem BioAssay data set | |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | > | 0.1 | nM | 21824690 |
NPT2 | Others | Unspecified | Activity | = | 0.53 | nM | 21824690 | |
NPT2 | Others | Unspecified | Activity | = | 0.556 | V | 21824690 | |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC30 | > | 0.15 | nM | 21824690 |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | Inhibition | = | -4.02 | % | 23062825 |
NPT67 | Individual Protein | Cholinesterase | Equus caballus | Inhibition | = | -8.75 | % | 23062825 |
NPT3355 | Individual Protein | TGF-beta receptor type II | Homo sapiens | Activity | = | 19.5 | % | 23153811 |
NPT3355 | Individual Protein | TGF-beta receptor type II | Homo sapiens | Inhibition | = | 19.9 | % | 23153811 |
NPT3355 | Individual Protein | TGF-beta receptor type II | Homo sapiens | Inhibition | = | 10.5 | % | 23153811 |
NPT766 | Organism | Proteus vulgaris | Proteus vulgaris | MIC | = | 100 | ug/ml | 10.1007/s00044-010-9462-7 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | MIC | = | 200 | ug/ml | 10.1007/s00044-010-9462-7 |
NPT766 | Organism | Proteus vulgaris | Proteus vulgaris | IZ | = | 1.6 | mm | 10.1007/s00044-010-9462-7 |
NPT79 | Organism | Bacillus subtilis | Bacillus subtilis | IZ | = | 0.8 | mm | 10.1007/s00044-010-9462-7 |
NPT1 | Others | Radical scavenging activity | Inhibition | = | 30 | % | 10.1007/s00044-007-9060-5 | |
NPT591 | Individual Protein | Glycogen synthase kinase-3 beta | Homo sapiens | IC50 | = | 26900 | nM | 10.1007/s00044-012-0353-y |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | FC | = | 1.3 | 23265844 | |
NPT106 | Individual Protein | Peroxisome proliferator-activated receptor delta | Homo sapiens | FC | = | 1.2 | 23265844 | |
NPT2 | Others | Unspecified | Potency | 26608.6 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 33498.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | IC50 | = | 60000 | nM | 23647823 | |
NPT2 | Others | Unspecified | Kd | = | 24500 | nM | 23647823 | |
NPT2 | Others | Unspecified | IC50 | = | 8300 | nM | 23647823 | |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 98.42 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 113.26 | % | 23571415 |
NPT535 | Individual Protein | Parathyroid hormone receptor | Homo sapiens | Potency | 79432.8 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 31622.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 10000 | nM | PubChem BioAssay data set | ||
NPT233 | Individual Protein | Carbonic anhydrase II | Homo sapiens | Ki | > | 10000 | nM | 26498393 |
NPT947 | Individual Protein | Carbonic anhydrase I | Homo sapiens | Ki | > | 10000 | nM | 26498393 |
NPT1062 | Individual Protein | Carbonic anhydrase IV | Homo sapiens | Ki | = | 102.1 | nM | 26498393 |
NPT955 | Individual Protein | Carbonic anhydrase VII | Homo sapiens | Ki | = | 3.3 | nM | 26498393 |
NPT949 | Individual Protein | Carbonic anhydrase XII | Homo sapiens | Ki | = | 454.1 | nM | 26498393 |
NPT2 | Others | Unspecified | FC | = | 1.72 | 26517554 | ||
NPT2 | Others | Unspecified | Activity | = | 102 | % | 26517554 | |
NPT2 | Others | Unspecified | Activity | = | 95 | % | 26517554 | |
NPT2 | Others | Unspecified | Activity | = | 96 | % | 26517554 | |
NPT2 | Others | Unspecified | Activity | = | 98 | % | 26517554 | |
NPT2 | Others | Unspecified | Activity | = | 103 | % | 26517554 | |
NPT2 | Others | Unspecified | Activity | = | 97 | % | 26517554 | |
NPT2 | Others | Unspecified | Activity | = | 99 | % | 26517554 |
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 NPC302950 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 |
---|---|---|
1.0 | High Similarity | NPC219582 |
1.0 | High Similarity | NPC236637 |
0.9932 | High Similarity | NPC18727 |
0.9797 | High Similarity | NPC35038 |
0.9797 | High Similarity | NPC326037 |
0.9797 | High Similarity | NPC13858 |
0.9797 | High Similarity | NPC195796 |
0.9797 | High Similarity | NPC320825 |
0.9797 | High Similarity | NPC235165 |
0.9797 | High Similarity | NPC278778 |
0.9797 | High Similarity | NPC291878 |
0.9797 | High Similarity | NPC255106 |
0.9732 | High Similarity | NPC472598 |
0.9732 | High Similarity | NPC99597 |
0.9732 | High Similarity | NPC471479 |
0.9732 | High Similarity | NPC474836 |
0.9732 | High Similarity | NPC48208 |
0.9732 | High Similarity | NPC210084 |
0.9732 | High Similarity | NPC162869 |
0.9732 | High Similarity | NPC52530 |
0.9732 | High Similarity | NPC471515 |
0.9732 | High Similarity | NPC156057 |
0.9732 | High Similarity | NPC474208 |
0.9732 | High Similarity | NPC291508 |
0.9732 | High Similarity | NPC474055 |
0.9732 | High Similarity | NPC27337 |
0.9732 | High Similarity | NPC475267 |
0.973 | High Similarity | NPC45849 |
0.973 | High Similarity | NPC477503 |
0.973 | High Similarity | NPC200761 |
0.973 | High Similarity | NPC470327 |
0.9728 | High Similarity | NPC260979 |
0.9728 | High Similarity | NPC472912 |
0.9726 | High Similarity | NPC338131 |
0.9724 | High Similarity | NPC294852 |
0.9724 | High Similarity | NPC321011 |
0.9724 | High Similarity | NPC188679 |
0.9664 | High Similarity | NPC470328 |
0.9664 | High Similarity | NPC209614 |
0.9664 | High Similarity | NPC472626 |
0.9664 | High Similarity | NPC471500 |
0.9664 | High Similarity | NPC250922 |
0.9662 | High Similarity | NPC192083 |
0.9662 | High Similarity | NPC469550 |
0.9662 | High Similarity | NPC213896 |
0.966 | High Similarity | NPC31363 |
0.9658 | High Similarity | NPC1612 |
0.9658 | High Similarity | NPC287101 |
0.9658 | High Similarity | NPC223579 |
0.9658 | High Similarity | NPC183950 |
0.9658 | High Similarity | NPC137062 |
0.9658 | High Similarity | NPC183959 |
0.9658 | High Similarity | NPC52005 |
0.9603 | High Similarity | NPC118256 |
0.9603 | High Similarity | NPC192686 |
0.9603 | High Similarity | NPC263449 |
0.9603 | High Similarity | NPC287328 |
0.9603 | High Similarity | NPC282009 |
0.9603 | High Similarity | NPC119209 |
0.9603 | High Similarity | NPC472624 |
0.9603 | High Similarity | NPC36217 |
0.96 | High Similarity | NPC472911 |
0.96 | High Similarity | NPC245758 |
0.96 | High Similarity | NPC223787 |
0.96 | High Similarity | NPC472914 |
0.96 | High Similarity | NPC299520 |
0.96 | High Similarity | NPC129684 |
0.96 | High Similarity | NPC67876 |
0.96 | High Similarity | NPC472910 |
0.96 | High Similarity | NPC472913 |
0.96 | High Similarity | NPC222814 |
0.96 | High Similarity | NPC96167 |
0.9597 | High Similarity | NPC37392 |
0.9597 | High Similarity | NPC321779 |
0.9597 | High Similarity | NPC2928 |
0.9597 | High Similarity | NPC67396 |
0.9597 | High Similarity | NPC226025 |
0.9595 | High Similarity | NPC199100 |
0.9595 | High Similarity | NPC106976 |
0.9595 | High Similarity | NPC260491 |
0.9595 | High Similarity | NPC240476 |
0.9595 | High Similarity | NPC477231 |
0.9595 | High Similarity | NPC120537 |
0.9595 | High Similarity | NPC61506 |
0.9595 | High Similarity | NPC36835 |
0.9595 | High Similarity | NPC9743 |
0.9595 | High Similarity | NPC257648 |
0.9595 | High Similarity | NPC180234 |
0.9595 | High Similarity | NPC246162 |
0.9592 | High Similarity | NPC29231 |
0.9589 | High Similarity | NPC3036 |
0.9589 | High Similarity | NPC120464 |
0.9539 | High Similarity | NPC308992 |
0.9539 | High Similarity | NPC474038 |
0.9539 | High Similarity | NPC471210 |
0.9539 | High Similarity | NPC472634 |
0.9539 | High Similarity | NPC471499 |
0.9539 | High Similarity | NPC173137 |
0.9539 | High Similarity | NPC158188 |
0.9539 | High Similarity | NPC26326 |
0.9539 | High Similarity | NPC472632 |
0.9536 | High Similarity | NPC55738 |
0.9536 | High Similarity | NPC95936 |
0.9536 | High Similarity | NPC22192 |
0.9536 | High Similarity | NPC250214 |
0.9533 | High Similarity | NPC472916 |
0.9533 | High Similarity | NPC474638 |
0.9533 | High Similarity | NPC24640 |
0.953 | High Similarity | NPC246328 |
0.953 | High Similarity | NPC167091 |
0.953 | High Similarity | NPC271779 |
0.953 | High Similarity | NPC88645 |
0.953 | High Similarity | NPC74924 |
0.953 | High Similarity | NPC298692 |
0.953 | High Similarity | NPC256346 |
0.953 | High Similarity | NPC27532 |
0.953 | High Similarity | NPC325028 |
0.953 | High Similarity | NPC141212 |
0.953 | High Similarity | NPC206238 |
0.953 | High Similarity | NPC292214 |
0.9527 | High Similarity | NPC125062 |
0.9527 | High Similarity | NPC252933 |
0.9527 | High Similarity | NPC54394 |
0.9527 | High Similarity | NPC204515 |
0.9527 | High Similarity | NPC117579 |
0.9527 | High Similarity | NPC200740 |
0.9524 | High Similarity | NPC105512 |
0.9524 | High Similarity | NPC48479 |
0.9524 | High Similarity | NPC177298 |
0.9521 | High Similarity | NPC95864 |
0.9521 | High Similarity | NPC108406 |
0.9521 | High Similarity | NPC12200 |
0.9477 | High Similarity | NPC472635 |
0.9477 | High Similarity | NPC201800 |
0.9477 | High Similarity | NPC474034 |
0.9477 | High Similarity | NPC472964 |
0.9477 | High Similarity | NPC474033 |
0.9477 | High Similarity | NPC476247 |
0.9474 | High Similarity | NPC472631 |
0.9474 | High Similarity | NPC174953 |
0.9474 | High Similarity | NPC475784 |
0.9474 | High Similarity | NPC472630 |
0.9474 | High Similarity | NPC472902 |
0.9474 | High Similarity | NPC471744 |
0.9474 | High Similarity | NPC470183 |
0.9474 | High Similarity | NPC470326 |
0.947 | High Similarity | NPC108456 |
0.947 | High Similarity | NPC471209 |
0.947 | High Similarity | NPC470402 |
0.947 | High Similarity | NPC469584 |
0.947 | High Similarity | NPC78225 |
0.947 | High Similarity | NPC473272 |
0.947 | High Similarity | NPC284820 |
0.9467 | High Similarity | NPC213622 |
0.9467 | High Similarity | NPC57674 |
0.9467 | High Similarity | NPC168247 |
0.9467 | High Similarity | NPC152951 |
0.9467 | High Similarity | NPC255807 |
0.9467 | High Similarity | NPC31018 |
0.9467 | High Similarity | NPC472909 |
0.9467 | High Similarity | NPC117992 |
0.9467 | High Similarity | NPC230149 |
0.9463 | High Similarity | NPC101996 |
0.9463 | High Similarity | NPC71334 |
0.9463 | High Similarity | NPC82325 |
0.9463 | High Similarity | NPC161277 |
0.9463 | High Similarity | NPC241498 |
0.9463 | High Similarity | NPC57030 |
0.9463 | High Similarity | NPC222830 |
0.9463 | High Similarity | NPC60972 |
0.9463 | High Similarity | NPC83508 |
0.9463 | High Similarity | NPC212678 |
0.9463 | High Similarity | NPC100887 |
0.9463 | High Similarity | NPC39732 |
0.9463 | High Similarity | NPC19721 |
0.9463 | High Similarity | NPC120163 |
0.9463 | High Similarity | NPC301323 |
0.9463 | High Similarity | NPC275836 |
0.9463 | High Similarity | NPC198826 |
0.9463 | High Similarity | NPC293183 |
0.9463 | High Similarity | NPC471982 |
0.9463 | High Similarity | NPC162313 |
0.9463 | High Similarity | NPC279989 |
0.9463 | High Similarity | NPC39007 |
0.9463 | High Similarity | NPC131624 |
0.9463 | High Similarity | NPC55205 |
0.9463 | High Similarity | NPC25270 |
0.9463 | High Similarity | NPC188203 |
0.9463 | High Similarity | NPC275722 |
0.9463 | High Similarity | NPC156222 |
0.9463 | High Similarity | NPC239128 |
0.9463 | High Similarity | NPC256283 |
0.9463 | High Similarity | NPC187498 |
0.9459 | High Similarity | NPC61620 |
0.9459 | High Similarity | NPC62042 |
0.9456 | High Similarity | NPC196277 |
0.9456 | High Similarity | NPC203747 |
0.9456 | High Similarity | NPC80710 |
0.9456 | High Similarity | NPC43669 |
0.9456 | High Similarity | NPC272721 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC302950 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 | NPD1934 | Approved |
0.9662 | High Similarity | NPD2393 | Clinical (unspecified phase) |
0.94 | High Similarity | NPD2801 | Approved |
0.9355 | High Similarity | NPD6167 | Clinical (unspecified phase) |
0.9355 | High Similarity | NPD6166 | Phase 2 |
0.9355 | High Similarity | NPD6168 | Clinical (unspecified phase) |
0.9315 | High Similarity | NPD1511 | Approved |
0.9189 | High Similarity | NPD1512 | Approved |
0.915 | High Similarity | NPD3882 | Suspended |
0.9119 | High Similarity | NPD7074 | Phase 3 |
0.9057 | High Similarity | NPD7054 | Approved |
0.9034 | High Similarity | NPD1550 | Clinical (unspecified phase) |
0.9034 | High Similarity | NPD1552 | Clinical (unspecified phase) |
0.9 | High Similarity | NPD7472 | Approved |
0.8994 | High Similarity | NPD3818 | Discontinued |
0.8973 | High Similarity | NPD1549 | Phase 2 |
0.8961 | High Similarity | NPD3817 | Phase 2 |
0.8903 | High Similarity | NPD4868 | Clinical (unspecified phase) |
0.8827 | High Similarity | NPD6797 | Phase 2 |
0.8824 | High Similarity | NPD4380 | Phase 2 |
0.8773 | High Similarity | NPD7251 | Discontinued |
0.8742 | High Similarity | NPD4378 | Clinical (unspecified phase) |
0.8734 | High Similarity | NPD5494 | Approved |
0.8726 | High Similarity | NPD7075 | Discontinued |
0.8726 | High Similarity | NPD4381 | Clinical (unspecified phase) |
0.872 | High Similarity | NPD4338 | Clinical (unspecified phase) |
0.872 | High Similarity | NPD7808 | Phase 3 |
0.8654 | High Similarity | NPD7096 | Clinical (unspecified phase) |
0.8639 | High Similarity | NPD1510 | Phase 2 |
0.8581 | High Similarity | NPD2796 | Approved |
0.8493 | Intermediate Similarity | NPD1613 | Approved |
0.8493 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.8493 | Intermediate Similarity | NPD1240 | Approved |
0.8481 | Intermediate Similarity | NPD8443 | Clinical (unspecified phase) |
0.8431 | Intermediate Similarity | NPD6799 | Approved |
0.8418 | Intermediate Similarity | NPD7819 | Suspended |
0.8418 | Intermediate Similarity | NPD1465 | Phase 2 |
0.8395 | Intermediate Similarity | NPD6232 | Discontinued |
0.8378 | Intermediate Similarity | NPD1607 | Approved |
0.8373 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.8367 | Intermediate Similarity | NPD943 | Approved |
0.8364 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.8364 | Intermediate Similarity | NPD5844 | Phase 1 |
0.8354 | Intermediate Similarity | NPD7473 | Discontinued |
0.8354 | Intermediate Similarity | NPD6801 | Discontinued |
0.8345 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.8333 | Intermediate Similarity | NPD6959 | Discontinued |
0.8291 | Intermediate Similarity | NPD7411 | Suspended |
0.8276 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.8258 | Intermediate Similarity | NPD7410 | Clinical (unspecified phase) |
0.8228 | Intermediate Similarity | NPD6599 | Discontinued |
0.8214 | Intermediate Similarity | NPD6559 | Discontinued |
0.8163 | Intermediate Similarity | NPD3027 | Phase 3 |
0.8137 | Intermediate Similarity | NPD5402 | Approved |
0.811 | Intermediate Similarity | NPD1247 | Approved |
0.8105 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.8098 | Intermediate Similarity | NPD919 | Approved |
0.8067 | Intermediate Similarity | NPD230 | Phase 1 |
0.8038 | Intermediate Similarity | NPD5403 | Approved |
0.8025 | Intermediate Similarity | NPD5401 | Approved |
0.8012 | Intermediate Similarity | NPD3926 | Phase 2 |
0.8 | Intermediate Similarity | NPD3750 | Approved |
0.7974 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7964 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.7947 | Intermediate Similarity | NPD447 | Suspended |
0.7935 | Intermediate Similarity | NPD2800 | Approved |
0.7927 | Intermediate Similarity | NPD3749 | Approved |
0.7925 | Intermediate Similarity | NPD6980 | Clinical (unspecified phase) |
0.7885 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7867 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.7866 | Intermediate Similarity | NPD7768 | Phase 2 |
0.7857 | Intermediate Similarity | NPD2935 | Discontinued |
0.7829 | Intermediate Similarity | NPD1933 | Approved |
0.7821 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.7799 | Intermediate Similarity | NPD2533 | Approved |
0.7799 | Intermediate Similarity | NPD2534 | Approved |
0.7799 | Intermediate Similarity | NPD2532 | Approved |
0.7792 | Intermediate Similarity | NPD651 | Clinical (unspecified phase) |
0.7785 | Intermediate Similarity | NPD9494 | Approved |
0.7784 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7771 | Intermediate Similarity | NPD6234 | Discontinued |
0.7765 | Intermediate Similarity | NPD3751 | Discontinued |
0.7764 | Intermediate Similarity | NPD1653 | Approved |
0.7742 | Intermediate Similarity | NPD6100 | Approved |
0.7742 | Intermediate Similarity | NPD6099 | Approved |
0.774 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.7736 | Intermediate Similarity | NPD6143 | Clinical (unspecified phase) |
0.7702 | Intermediate Similarity | NPD920 | Approved |
0.7692 | Intermediate Similarity | NPD2344 | Approved |
0.7692 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7692 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.7684 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7677 | Intermediate Similarity | NPD3748 | Approved |
0.7658 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7635 | Intermediate Similarity | NPD4379 | Clinical (unspecified phase) |
0.7633 | Intermediate Similarity | NPD3787 | Discontinued |
0.7619 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7616 | Intermediate Similarity | NPD4908 | Phase 1 |
0.7614 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.761 | Intermediate Similarity | NPD6190 | Approved |
0.7607 | Intermediate Similarity | NPD3226 | Approved |
0.7595 | Intermediate Similarity | NPD1243 | Approved |
0.758 | Intermediate Similarity | NPD2346 | Discontinued |
0.7578 | Intermediate Similarity | NPD642 | Clinical (unspecified phase) |
0.7576 | Intermediate Similarity | NPD37 | Approved |
0.7564 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7562 | Intermediate Similarity | NPD643 | Clinical (unspecified phase) |
0.7558 | Intermediate Similarity | NPD7228 | Approved |
0.7548 | Intermediate Similarity | NPD6651 | Approved |
0.7545 | Intermediate Similarity | NPD4966 | Approved |
0.7545 | Intermediate Similarity | NPD4967 | Phase 2 |
0.7545 | Intermediate Similarity | NPD4965 | Approved |
0.7543 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7533 | Intermediate Similarity | NPD1203 | Approved |
0.7529 | Intermediate Similarity | NPD5953 | Discontinued |
0.7516 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7516 | Intermediate Similarity | NPD2313 | Discontinued |
0.7514 | Intermediate Similarity | NPD7286 | Phase 2 |
0.75 | Intermediate Similarity | NPD2309 | Approved |
0.75 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.7486 | Intermediate Similarity | NPD7685 | Pre-registration |
0.7484 | Intermediate Similarity | NPD1899 | Clinical (unspecified phase) |
0.7469 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7466 | Intermediate Similarity | NPD1548 | Phase 1 |
0.7452 | Intermediate Similarity | NPD7033 | Discontinued |
0.7452 | Intermediate Similarity | NPD2799 | Discontinued |
0.7438 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7418 | Intermediate Similarity | NPD4363 | Phase 3 |
0.7418 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7407 | Intermediate Similarity | NPD7390 | Discontinued |
0.7403 | Intermediate Similarity | NPD6798 | Discontinued |
0.7401 | Intermediate Similarity | NPD8312 | Approved |
0.7401 | Intermediate Similarity | NPD8313 | Approved |
0.7386 | Intermediate Similarity | NPD6832 | Phase 2 |
0.7384 | Intermediate Similarity | NPD5242 | Approved |
0.7381 | Intermediate Similarity | NPD5353 | Approved |
0.7337 | Intermediate Similarity | NPD8090 | Clinical (unspecified phase) |
0.7333 | Intermediate Similarity | NPD9717 | Approved |
0.7333 | Intermediate Similarity | NPD1608 | Approved |
0.7333 | Intermediate Similarity | NPD9269 | Phase 2 |
0.7326 | Intermediate Similarity | NPD5711 | Approved |
0.7326 | Intermediate Similarity | NPD5710 | Approved |
0.732 | Intermediate Similarity | NPD2861 | Phase 2 |
0.7305 | Intermediate Similarity | NPD7615 | Clinical (unspecified phase) |
0.729 | Intermediate Similarity | NPD3268 | Approved |
0.7278 | Intermediate Similarity | NPD8434 | Phase 2 |
0.7267 | Intermediate Similarity | NPD1652 | Phase 2 |
0.7267 | Intermediate Similarity | NPD422 | Phase 1 |
0.7263 | Intermediate Similarity | NPD7584 | Approved |
0.7262 | Intermediate Similarity | NPD6844 | Discontinued |
0.7261 | Intermediate Similarity | NPD6355 | Discontinued |
0.7256 | Intermediate Similarity | NPD7422 | Clinical (unspecified phase) |
0.7255 | Intermediate Similarity | NPD2798 | Approved |
0.725 | Intermediate Similarity | NPD7266 | Discontinued |
0.7244 | Intermediate Similarity | NPD6233 | Phase 2 |
0.7233 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7226 | Intermediate Similarity | NPD4625 | Phase 3 |
0.7219 | Intermediate Similarity | NPD6780 | Approved |
0.7219 | Intermediate Similarity | NPD6776 | Approved |
0.7219 | Intermediate Similarity | NPD6781 | Approved |
0.7219 | Intermediate Similarity | NPD6778 | Approved |
0.7219 | Intermediate Similarity | NPD6777 | Approved |
0.7219 | Intermediate Similarity | NPD6782 | Approved |
0.7219 | Intermediate Similarity | NPD6779 | Approved |
0.7208 | Intermediate Similarity | NPD3018 | Phase 2 |
0.7205 | Intermediate Similarity | NPD2424 | Discontinued |
0.7202 | Intermediate Similarity | NPD6386 | Approved |
0.7202 | Intermediate Similarity | NPD6385 | Approved |
0.719 | Intermediate Similarity | NPD2797 | Approved |
0.7188 | Intermediate Similarity | NPD8151 | Discontinued |
0.7186 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7182 | Intermediate Similarity | NPD8150 | Discontinued |
0.7179 | Intermediate Similarity | NPD411 | Approved |
0.7171 | Intermediate Similarity | NPD4749 | Approved |
0.7162 | Intermediate Similarity | NPD5536 | Phase 2 |
0.716 | Intermediate Similarity | NPD2654 | Approved |
0.7152 | Intermediate Similarity | NPD1201 | Approved |
0.7152 | Intermediate Similarity | NPD5124 | Phase 1 |
0.7152 | Intermediate Similarity | NPD4661 | Approved |
0.7152 | Intermediate Similarity | NPD4662 | Approved |
0.7152 | Intermediate Similarity | NPD5123 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD2403 | Approved |
0.7135 | Intermediate Similarity | NPD5019 | Clinical (unspecified phase) |
0.7133 | Intermediate Similarity | NPD17 | Approved |
0.7126 | Intermediate Similarity | NPD7229 | Phase 3 |
0.7124 | Intermediate Similarity | NPD3225 | Approved |
0.7118 | Intermediate Similarity | NPD8455 | Phase 2 |
0.7117 | Intermediate Similarity | NPD4110 | Phase 3 |
0.7117 | Intermediate Similarity | NPD4109 | Clinical (unspecified phase) |
0.7114 | Intermediate Similarity | NPD9545 | Approved |
0.7105 | Intermediate Similarity | NPD7435 | Discontinued |
0.7103 | Intermediate Similarity | NPD228 | Approved |
0.7097 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.7097 | Intermediate Similarity | NPD4361 | Phase 2 |
0.7095 | Intermediate Similarity | NPD7240 | Approved |
0.7095 | Intermediate Similarity | NPD7039 | Approved |
0.7095 | Intermediate Similarity | NPD7038 | Approved |
0.7091 | Intermediate Similarity | NPD4357 | Discontinued |
0.7089 | Intermediate Similarity | NPD4060 | Phase 1 |
0.7083 | Intermediate Similarity | NPD7458 | Discontinued |
PubChem CID   | 72281 |
ChEMBL   | CHEMBL399121 |
ZINC   |
Molecular Weight:   | 302.08 |
ALogP:   | -1.8662 |
MLogP:   | 2.56 |
XLogP:   | 0.453 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 96.22 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 3 |
# Rings:   | 3 |
# Heavy Atoms:   | 22 |