Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO14048 | Cryptotaenia japonica | Species | Apiaceae | Eukaryota | TCM_Taiwan* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | saliva |
PMID[24657864] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | Faeces |
PMID[17314143] |
||
NPO28777 | Ardisiae japonicae | NA | NA | NA | HerDing* | |||
NPO29209 | Litchi chinensis | Species | Sapindaceae | Eukaryota | HerDing* | |||
NPO6170 | Caulis akebiae | NA | NA | NA | TCMSP* | |||
NPO29641 | Rhododendri daurici folium | NA | NA | NA | TCMSP* | |||
NPO29575 | Ardisiae japonicae herba | NA | NA | NA | TCMSP* | |||
NPO29598 | Mahoniae caulis | NA | NA | NA | TCMSP* | |||
NPO26378 | Bistorta manshuriensis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO23213 | Bistorta officinalis | Species | Polygonaceae | Eukaryota | TM-MC* | |||
NPO1493 | Hericium erinaceus | Species | Hericiaceae | Eukaryota | TCMID* | |||
NPO29209 | Litchi chinensis | Species | Sapindaceae | Eukaryota | TCMID* | |||
NPO28777 | Ardisiae japonicae | NA | NA | NA | TCMID* |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | Potency | 254.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 570.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 54947.7 | nM | PubChem BioAssay data set | ||
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Potency | 1949.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 4327.7 | nM | PubChem BioAssay data set | ||
NPT74 | Individual Protein | Proto-oncogene c-JUN | Homo sapiens | Potency | 87.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 8057.3 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 48557.7 | 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 NPC266979 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 |
---|---|---|
0.9677 | High Similarity | NPC12889 |
0.9375 | High Similarity | NPC269641 |
0.8108 | Intermediate Similarity | NPC111474 |
0.8 | Intermediate Similarity | NPC38497 |
0.7778 | Intermediate Similarity | NPC254764 |
0.7778 | Intermediate Similarity | NPC185839 |
0.7568 | Intermediate Similarity | NPC180840 |
0.75 | Intermediate Similarity | NPC301972 |
0.75 | Intermediate Similarity | NPC216921 |
0.75 | Intermediate Similarity | NPC292463 |
0.7368 | Intermediate Similarity | NPC217923 |
0.7317 | Intermediate Similarity | NPC25771 |
0.7317 | Intermediate Similarity | NPC477686 |
0.7222 | Intermediate Similarity | NPC72258 |
0.7179 | Intermediate Similarity | NPC12319 |
0.7179 | Intermediate Similarity | NPC101147 |
0.7179 | Intermediate Similarity | NPC18205 |
0.7143 | Intermediate Similarity | NPC166788 |
0.7143 | Intermediate Similarity | NPC304788 |
0.7143 | Intermediate Similarity | NPC191337 |
0.7027 | Intermediate Similarity | NPC75204 |
0.6977 | Remote Similarity | NPC100380 |
0.6977 | Remote Similarity | NPC471752 |
0.6977 | Remote Similarity | NPC8610 |
0.6977 | Remote Similarity | NPC262558 |
0.6905 | Remote Similarity | NPC471753 |
0.6875 | Remote Similarity | NPC94980 |
0.6857 | Remote Similarity | NPC273054 |
0.6842 | Remote Similarity | NPC8416 |
0.6842 | Remote Similarity | NPC24833 |
0.6842 | Remote Similarity | NPC279300 |
0.6765 | Remote Similarity | NPC155900 |
0.675 | Remote Similarity | NPC113082 |
0.6667 | Remote Similarity | NPC92863 |
0.6667 | Remote Similarity | NPC145311 |
0.6667 | Remote Similarity | NPC155880 |
0.6667 | Remote Similarity | NPC109034 |
0.6585 | Remote Similarity | NPC7754 |
0.6585 | Remote Similarity | NPC270170 |
0.6522 | Remote Similarity | NPC58970 |
0.6522 | Remote Similarity | NPC15325 |
0.6522 | Remote Similarity | NPC163984 |
0.6522 | Remote Similarity | NPC118788 |
0.6522 | Remote Similarity | NPC176819 |
0.6522 | Remote Similarity | NPC20934 |
0.6522 | Remote Similarity | NPC220191 |
0.6522 | Remote Similarity | NPC288381 |
0.6522 | Remote Similarity | NPC225974 |
0.6522 | Remote Similarity | NPC32351 |
0.6512 | Remote Similarity | NPC267514 |
0.6512 | Remote Similarity | NPC145755 |
0.6512 | Remote Similarity | NPC6963 |
0.6512 | Remote Similarity | NPC304079 |
0.65 | Remote Similarity | NPC33761 |
0.6383 | Remote Similarity | NPC22329 |
0.6383 | Remote Similarity | NPC64866 |
0.6364 | Remote Similarity | NPC270706 |
0.6364 | Remote Similarity | NPC474362 |
0.6364 | Remote Similarity | NPC474202 |
0.6341 | Remote Similarity | NPC323278 |
0.6341 | Remote Similarity | NPC8270 |
0.6304 | Remote Similarity | NPC234084 |
0.625 | Remote Similarity | NPC130923 |
0.625 | Remote Similarity | NPC46565 |
0.625 | Remote Similarity | NPC471751 |
0.625 | Remote Similarity | NPC229046 |
0.6222 | Remote Similarity | NPC87137 |
0.6222 | Remote Similarity | NPC128280 |
0.6222 | Remote Similarity | NPC308331 |
0.619 | Remote Similarity | NPC221250 |
0.619 | Remote Similarity | NPC33489 |
0.617 | Remote Similarity | NPC221467 |
0.617 | Remote Similarity | NPC228776 |
0.6154 | Remote Similarity | NPC308418 |
0.6136 | Remote Similarity | NPC106547 |
0.6122 | Remote Similarity | NPC23117 |
0.6122 | Remote Similarity | NPC37644 |
0.6122 | Remote Similarity | NPC14002 |
0.6122 | Remote Similarity | NPC268564 |
0.6122 | Remote Similarity | NPC474805 |
0.6122 | Remote Similarity | NPC296311 |
0.6122 | Remote Similarity | NPC45283 |
0.6087 | Remote Similarity | NPC324812 |
0.6087 | Remote Similarity | NPC91962 |
0.6047 | Remote Similarity | NPC67920 |
0.6047 | Remote Similarity | NPC208936 |
0.6047 | Remote Similarity | NPC298710 |
0.6047 | Remote Similarity | NPC287397 |
0.6 | Remote Similarity | NPC129710 |
0.6 | Remote Similarity | NPC110396 |
0.6 | Remote Similarity | NPC317796 |
0.6 | Remote Similarity | NPC64176 |
0.6 | Remote Similarity | NPC262789 |
0.6 | Remote Similarity | NPC288991 |
0.6 | Remote Similarity | NPC189677 |
0.6 | Remote Similarity | NPC5626 |
0.5957 | Remote Similarity | NPC477789 |
0.5957 | Remote Similarity | NPC267110 |
0.5952 | Remote Similarity | NPC56917 |
0.5918 | Remote Similarity | NPC137396 |
0.5918 | Remote Similarity | NPC191643 |
0.5909 | Remote Similarity | NPC106819 |
0.5882 | Remote Similarity | NPC275472 |
0.5882 | Remote Similarity | NPC25038 |
0.5882 | Remote Similarity | NPC297280 |
0.587 | Remote Similarity | NPC4079 |
0.587 | Remote Similarity | NPC14917 |
0.587 | Remote Similarity | NPC236355 |
0.5854 | Remote Similarity | NPC226511 |
0.5833 | Remote Similarity | NPC123965 |
0.5833 | Remote Similarity | NPC15789 |
0.5833 | Remote Similarity | NPC115959 |
0.5833 | Remote Similarity | NPC138113 |
0.5833 | Remote Similarity | NPC236338 |
0.5833 | Remote Similarity | NPC8466 |
0.5814 | Remote Similarity | NPC188596 |
0.58 | Remote Similarity | NPC295777 |
0.58 | Remote Similarity | NPC69898 |
0.58 | Remote Similarity | NPC474141 |
0.5789 | Remote Similarity | NPC63121 |
0.5789 | Remote Similarity | NPC197356 |
0.5789 | Remote Similarity | NPC144407 |
0.5769 | Remote Similarity | NPC150717 |
0.5769 | Remote Similarity | NPC473733 |
0.5769 | Remote Similarity | NPC221763 |
0.5745 | Remote Similarity | NPC471958 |
0.5714 | Remote Similarity | NPC29091 |
0.5714 | Remote Similarity | NPC182840 |
0.5714 | Remote Similarity | NPC477458 |
0.5714 | Remote Similarity | NPC30433 |
0.5714 | Remote Similarity | NPC103213 |
0.5714 | Remote Similarity | NPC200147 |
0.5714 | Remote Similarity | NPC234829 |
0.5714 | Remote Similarity | NPC27438 |
0.5714 | Remote Similarity | NPC43053 |
0.5714 | Remote Similarity | NPC255042 |
0.5686 | Remote Similarity | NPC218486 |
0.5686 | Remote Similarity | NPC474127 |
0.5682 | Remote Similarity | NPC180871 |
0.5682 | Remote Similarity | NPC88079 |
0.5682 | Remote Similarity | NPC51758 |
0.5682 | Remote Similarity | NPC108494 |
0.5682 | Remote Similarity | NPC68889 |
0.5682 | Remote Similarity | NPC187922 |
0.5682 | Remote Similarity | NPC67761 |
0.5682 | Remote Similarity | NPC209279 |
0.5682 | Remote Similarity | NPC194586 |
0.5676 | Remote Similarity | NPC60288 |
0.566 | Remote Similarity | NPC283502 |
0.566 | Remote Similarity | NPC224103 |
0.566 | Remote Similarity | NPC268185 |
0.566 | Remote Similarity | NPC299369 |
0.566 | Remote Similarity | NPC193695 |
0.566 | Remote Similarity | NPC71755 |
0.566 | Remote Similarity | NPC200831 |
0.5652 | Remote Similarity | NPC47946 |
0.5652 | Remote Similarity | NPC26600 |
0.5652 | Remote Similarity | NPC158853 |
0.5641 | Remote Similarity | NPC146507 |
0.5641 | Remote Similarity | NPC250734 |
0.5625 | Remote Similarity | NPC15912 |
0.5625 | Remote Similarity | NPC96619 |
0.561 | Remote Similarity | NPC220061 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC266979 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 |
---|---|---|---|
0.7368 | Intermediate Similarity | NPD5783 | Phase 3 |
0.6047 | Remote Similarity | NPD9297 | Discontinued |
0.6047 | Remote Similarity | NPD9091 | Suspended |
0.5957 | Remote Similarity | NPD4220 | Pre-registration |
0.5686 | Remote Similarity | NPD539 | Approved |
0.566 | Remote Similarity | NPD8779 | Phase 3 |
0.5652 | Remote Similarity | NPD9090 | Phase 3 |
PubChem CID   | 8858 |
ChEMBL   | CHEMBL3185916 |
ZINC   |
Molecular Weight:   | 98.07 |
ALogP:   | 1.1956 |
MLogP:   | 2.01 |
XLogP:   | 1.06 |
# Rotatable Bonds:   | 4 |
Polar Surface Area:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 7 |