Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO5986.2 | Ziziphus jujuba var. spinosa | Varieties | Rhamnaceae | Eukaryota | TCMID* | |||
NPO26429 | Capsella bursa-pastoris | Species | Brassicaceae | Eukaryota | TCMID* | |||
NPO22234 | Ficus carica | Species | Moraceae | Eukaryota | TCMID* | |||
NPO10597 | Fructus syzygii | NA | NA | NA | TCMID* | |||
NPO27018 | Cynomorium songaricum | Species | Cynomoriaceae | Eukaryota | TCMID* | |||
NPO5032 | Lagerstroemia speciosa | Species | Lythraceae | Eukaryota | TCMID* | |||
NPO17024 | Vitis vinifera | Species | Vitaceae | Eukaryota |
PMID[25518943] |
|||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24421258] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
||
NPO28276 | Artemisia argyi | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO10492 | Artemisia montana | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO25094 | Artemisia princeps | Species | Asteraceae | Eukaryota | TM-MC* | |||
NPO28260 | Senna alexandrina | Species | Fabaceae | Eukaryota | TM-MC* | |||
NPO7317 | Citrus aurantium | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO5270 | Citrus natsudaidai | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO19787 | Citrus sinensis | Species | Rutaceae | Eukaryota | TM-MC* | |||
NPO25269 | Ganoderma lucidum | Species | Ganodermataceae | Eukaryota | TM-MC* | |||
NPO16609 | Ganoderma sinense | Species | Ganodermataceae | Eukaryota | TM-MC* | |||
NPO1515 | Lonicera japonica | Species | Caprifoliaceae | Eukaryota | TM-MC* | |||
NPO29141 | Panax ginseng | Species | Araliaceae | Eukaryota | TM-MC* | |||
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | TM-MC* | |||
NPO21771 | Citrus trifoliata | Species | Rutaceae | Eukaryota | TM-MC* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT94 | Individual Protein | Aldehyde dehydrogenase 1A1 | Homo sapiens | Potency | = | 31622.8 | nM | PubChem BioAssay data set |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | 14125.4 | nM | PubChem BioAssay data set | |
NPT99 | Individual Protein | Peroxisome proliferator-activated receptor gamma | Homo sapiens | Potency | 44668.4 | nM | PubChem BioAssay data set | |
NPT696 | Individual Protein | UDP-glucuronosyltransferase 2A1 | Homo sapiens | Activity | = | 873 | pm/min/mg | 10836148 |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 18356.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 4610.9 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54242.7 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 6768.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 26945.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 86 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 60861.3 | nM | PubChem BioAssay data set |
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 NPC283682 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 |
---|---|---|
0.9118 | High Similarity | NPC177022 |
0.8824 | High Similarity | NPC61665 |
0.8611 | High Similarity | NPC221022 |
0.8065 | Intermediate Similarity | NPC39869 |
0.8065 | Intermediate Similarity | NPC276332 |
0.7895 | Intermediate Similarity | NPC160261 |
0.7895 | Intermediate Similarity | NPC469759 |
0.7879 | Intermediate Similarity | NPC225783 |
0.7879 | Intermediate Similarity | NPC24506 |
0.7879 | Intermediate Similarity | NPC147096 |
0.7879 | Intermediate Similarity | NPC112242 |
0.7879 | Intermediate Similarity | NPC163556 |
0.7879 | Intermediate Similarity | NPC236797 |
0.7879 | Intermediate Similarity | NPC185041 |
0.7812 | Intermediate Similarity | NPC279895 |
0.7778 | Intermediate Similarity | NPC328441 |
0.775 | Intermediate Similarity | NPC144891 |
0.7647 | Intermediate Similarity | NPC126915 |
0.7647 | Intermediate Similarity | NPC122962 |
0.7576 | Intermediate Similarity | NPC110884 |
0.7429 | Intermediate Similarity | NPC139131 |
0.7429 | Intermediate Similarity | NPC272998 |
0.7429 | Intermediate Similarity | NPC193062 |
0.7429 | Intermediate Similarity | NPC185538 |
0.7429 | Intermediate Similarity | NPC291158 |
0.7429 | Intermediate Similarity | NPC181516 |
0.7429 | Intermediate Similarity | NPC205141 |
0.7429 | Intermediate Similarity | NPC66124 |
0.7429 | Intermediate Similarity | NPC319034 |
0.7429 | Intermediate Similarity | NPC72324 |
0.7429 | Intermediate Similarity | NPC1748 |
0.7419 | Intermediate Similarity | NPC275462 |
0.7381 | Intermediate Similarity | NPC87439 |
0.7381 | Intermediate Similarity | NPC473914 |
0.7273 | Intermediate Similarity | NPC159845 |
0.7273 | Intermediate Similarity | NPC52362 |
0.7209 | Intermediate Similarity | NPC287550 |
0.7209 | Intermediate Similarity | NPC176309 |
0.7209 | Intermediate Similarity | NPC147343 |
0.7209 | Intermediate Similarity | NPC84030 |
0.7209 | Intermediate Similarity | NPC198540 |
0.7209 | Intermediate Similarity | NPC223468 |
0.7143 | Intermediate Similarity | NPC215358 |
0.7143 | Intermediate Similarity | NPC267243 |
0.7097 | Intermediate Similarity | NPC256186 |
0.7097 | Intermediate Similarity | NPC23071 |
0.7027 | Intermediate Similarity | NPC97967 |
0.6977 | Remote Similarity | NPC24824 |
0.6977 | Remote Similarity | NPC165651 |
0.6977 | Remote Similarity | NPC210560 |
0.6944 | Remote Similarity | NPC152759 |
0.6944 | Remote Similarity | NPC12231 |
0.6923 | Remote Similarity | NPC469712 |
0.6923 | Remote Similarity | NPC316546 |
0.6923 | Remote Similarity | NPC469714 |
0.6923 | Remote Similarity | NPC473568 |
0.6875 | Remote Similarity | NPC213764 |
0.6842 | Remote Similarity | NPC474392 |
0.6842 | Remote Similarity | NPC474914 |
0.6829 | Remote Similarity | NPC325452 |
0.6829 | Remote Similarity | NPC248763 |
0.6774 | Remote Similarity | NPC52403 |
0.675 | Remote Similarity | NPC3531 |
0.6744 | Remote Similarity | NPC240994 |
0.6667 | Remote Similarity | NPC560 |
0.6667 | Remote Similarity | NPC314087 |
0.6667 | Remote Similarity | NPC74352 |
0.6452 | Remote Similarity | NPC88839 |
0.6364 | Remote Similarity | NPC190797 |
0.6364 | Remote Similarity | NPC232554 |
0.6327 | Remote Similarity | NPC161473 |
0.6286 | Remote Similarity | NPC223195 |
0.6286 | Remote Similarity | NPC325345 |
0.6279 | Remote Similarity | NPC474126 |
0.6279 | Remote Similarity | NPC222078 |
0.6279 | Remote Similarity | NPC474125 |
0.625 | Remote Similarity | NPC307022 |
0.6222 | Remote Similarity | NPC314679 |
0.6222 | Remote Similarity | NPC77550 |
0.6222 | Remote Similarity | NPC108441 |
0.62 | Remote Similarity | NPC286752 |
0.62 | Remote Similarity | NPC53209 |
0.6154 | Remote Similarity | NPC218357 |
0.6136 | Remote Similarity | NPC15162 |
0.6129 | Remote Similarity | NPC294703 |
0.6098 | Remote Similarity | NPC197039 |
0.6087 | Remote Similarity | NPC14552 |
0.6078 | Remote Similarity | NPC148216 |
0.6078 | Remote Similarity | NPC471269 |
0.6078 | Remote Similarity | NPC67508 |
0.6078 | Remote Similarity | NPC178223 |
0.6078 | Remote Similarity | NPC130209 |
0.6078 | Remote Similarity | NPC166894 |
0.6078 | Remote Similarity | NPC148163 |
0.6078 | Remote Similarity | NPC84824 |
0.6078 | Remote Similarity | NPC283655 |
0.6078 | Remote Similarity | NPC277917 |
0.6078 | Remote Similarity | NPC89069 |
0.6061 | Remote Similarity | NPC199270 |
0.6061 | Remote Similarity | NPC87529 |
0.6061 | Remote Similarity | NPC245688 |
0.6 | Remote Similarity | NPC313795 |
0.6 | Remote Similarity | NPC55023 |
0.5962 | Remote Similarity | NPC24443 |
0.5957 | Remote Similarity | NPC100445 |
0.5957 | Remote Similarity | NPC324793 |
0.5957 | Remote Similarity | NPC477878 |
0.5952 | Remote Similarity | NPC471282 |
0.5938 | Remote Similarity | NPC110344 |
0.5909 | Remote Similarity | NPC249801 |
0.5909 | Remote Similarity | NPC46248 |
0.587 | Remote Similarity | NPC308301 |
0.5854 | Remote Similarity | NPC14608 |
0.5854 | Remote Similarity | NPC252843 |
0.5849 | Remote Similarity | NPC291147 |
0.5849 | Remote Similarity | NPC135438 |
0.5849 | Remote Similarity | NPC322148 |
0.5849 | Remote Similarity | NPC236588 |
0.5849 | Remote Similarity | NPC29976 |
0.5849 | Remote Similarity | NPC119425 |
0.5849 | Remote Similarity | NPC150713 |
0.5833 | Remote Similarity | NPC316035 |
0.5833 | Remote Similarity | NPC127997 |
0.5833 | Remote Similarity | NPC95969 |
0.5833 | Remote Similarity | NPC294858 |
0.5833 | Remote Similarity | NPC62755 |
0.5814 | Remote Similarity | NPC152008 |
0.58 | Remote Similarity | NPC476149 |
0.58 | Remote Similarity | NPC244869 |
0.58 | Remote Similarity | NPC476136 |
0.58 | Remote Similarity | NPC300235 |
0.5789 | Remote Similarity | NPC272426 |
0.5778 | Remote Similarity | NPC269862 |
0.5778 | Remote Similarity | NPC252978 |
0.5778 | Remote Similarity | NPC76051 |
0.5769 | Remote Similarity | NPC251666 |
0.5769 | Remote Similarity | NPC232247 |
0.5758 | Remote Similarity | NPC39977 |
0.575 | Remote Similarity | NPC155872 |
0.5745 | Remote Similarity | NPC21844 |
0.5741 | Remote Similarity | NPC47663 |
0.5741 | Remote Similarity | NPC10017 |
0.5741 | Remote Similarity | NPC476735 |
0.5741 | Remote Similarity | NPC226848 |
0.5741 | Remote Similarity | NPC155025 |
0.5741 | Remote Similarity | NPC475830 |
0.5741 | Remote Similarity | NPC215671 |
0.5741 | Remote Similarity | NPC87296 |
0.5741 | Remote Similarity | NPC475515 |
0.5714 | Remote Similarity | NPC131623 |
0.5714 | Remote Similarity | NPC252154 |
0.5714 | Remote Similarity | NPC329773 |
0.566 | Remote Similarity | NPC48891 |
0.5652 | Remote Similarity | NPC469781 |
0.5652 | Remote Similarity | NPC62014 |
0.5641 | Remote Similarity | NPC147054 |
0.5636 | Remote Similarity | NPC475968 |
0.5636 | Remote Similarity | NPC475931 |
0.5636 | Remote Similarity | NPC185116 |
0.5636 | Remote Similarity | NPC122239 |
0.5625 | Remote Similarity | NPC13105 |
0.56 | Remote Similarity | NPC26906 |
0.56 | Remote Similarity | NPC251335 |
0.56 | Remote Similarity | NPC214584 |
0.56 | Remote Similarity | NPC244038 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC283682 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 |
---|---|---|---|
0.7429 | Intermediate Similarity | NPD5383 | Approved |
0.7429 | Intermediate Similarity | NPD2272 | Approved |
0.7209 | Intermediate Similarity | NPD385 | Approved |
0.7209 | Intermediate Similarity | NPD384 | Approved |
0.675 | Remote Similarity | NPD9450 | Approved |
0.675 | Remote Similarity | NPD77 | Approved |
0.6667 | Remote Similarity | NPD1462 | Approved |
0.6585 | Remote Similarity | NPD1460 | Approved |
0.6341 | Remote Similarity | NPD9453 | Phase 3 |
0.6286 | Remote Similarity | NPD8988 | Clinical (unspecified phase) |
0.6222 | Remote Similarity | NPD388 | Approved |
0.6222 | Remote Similarity | NPD386 | Approved |
0.6222 | Remote Similarity | NPD634 | Phase 3 |
0.6078 | Remote Similarity | NPD342 | Phase 1 |
0.5854 | Remote Similarity | NPD9449 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD7536 | Approved |
0.5814 | Remote Similarity | NPD9635 | Discontinued |
0.5789 | Remote Similarity | NPD1461 | Approved |
0.5789 | Remote Similarity | NPD908 | Approved |
0.5789 | Remote Similarity | NPD907 | Approved |
0.575 | Remote Similarity | NPD9447 | Approved |
0.5745 | Remote Similarity | NPD379 | Clinical (unspecified phase) |
0.5682 | Remote Similarity | NPD9426 | Discontinued |
0.5636 | Remote Similarity | NPD3198 | Approved |
0.5625 | Remote Similarity | NPD2266 | Phase 2 |
PubChem CID   | 7720 |
ChEMBL   | CHEMBL31637 |
ZINC   |
Molecular Weight:   | 130.14 |
ALogP:   | -1.2606 |
MLogP:   | 2.23 |
XLogP:   | 2.855 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 20.23 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 1 |
# Rings:   | 0 |
# Heavy Atoms:   | 9 |