Molecular Weight:   | 298.08 |
Volume:   | 299.778 |
LogP:   | 3.993 |
LogD:   | 3.002 |
LogS:   | -4.448 |
# Rotatable Bonds:   | 3 |
TPSA:   | 68.9 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 1 |
# Rings:   | 3 |
# Heavy Atoms:   | 5 |
QED Drug-Likeness Score:   | 0.804 |
Synthetic Accessibility Score:   | 2.059 |
Fsp3:   | 0.118 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Rejected |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.738 |
MDCK Permeability:   | 2.247893098683562e-05 |
Pgp-inhibitor:   | 0.829 |
Pgp-substrate:   | 0.009 |
Human Intestinal Absorption (HIA):   | 0.009 |
20% Bioavailability (F20%):   | 0.011 |
30% Bioavailability (F30%):   | 0.993 |
Blood-Brain-Barrier Penetration (BBB):   | 0.031 |
Plasma Protein Binding (PPB):   | 93.65923309326172% |
Volume Distribution (VD):   | 0.723 |
Pgp-substrate:   | 6.910534381866455% |
CYP1A2-inhibitor:   | 0.976 |
CYP1A2-substrate:   | 0.949 |
CYP2C19-inhibitor:   | 0.85 |
CYP2C19-substrate:   | 0.098 |
CYP2C9-inhibitor:   | 0.819 |
CYP2C9-substrate:   | 0.942 |
CYP2D6-inhibitor:   | 0.708 |
CYP2D6-substrate:   | 0.935 |
CYP3A4-inhibitor:   | 0.77 |
CYP3A4-substrate:   | 0.272 |
Clearance (CL):   | 4.896 |
Half-life (T1/2):   | 0.252 |
hERG Blockers:   | 0.097 |
Human Hepatotoxicity (H-HT):   | 0.122 |
Drug-inuced Liver Injury (DILI):   | 0.911 |
AMES Toxicity:   | 0.638 |
Rat Oral Acute Toxicity:   | 0.052 |
Maximum Recommended Daily Dose:   | 0.65 |
Skin Sensitization:   | 0.727 |
Carcinogencity:   | 0.139 |
Eye Corrosion:   | 0.006 |
Eye Irritation:   | 0.91 |
Respiratory Toxicity:   | 0.623 |
Natural Product ID:   | NPC29353 |
Common Name*:   | Apigenin Dimethylether |
IUPAC Name:   | 5-hydroxy-7-methoxy-2-(4-methoxyphenyl)chromen-4-one |
Synonyms:   | NSC-94547 |
Standard InCHIKey:   | LZERJKGWTQYMBB-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C17H14O5/c1-20-11-5-3-10(4-6-11)15-9-14(19)17-13(18)7-12(21-2)8-16(17)22-15/h3-9,18H,1-2H3 |
SMILES:   | COc1ccc(cc1)c1cc(=O)c2c(o1)cc(cc2O)OC |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL350958 |
PubChem CID:   |
5281601 |
Chemical Classification**:   |
|
*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 |
---|---|---|---|---|---|---|---|---|
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/0031-9422(81)85171-0] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | Flowers | n.a. | n.a. | DOI[10.5897/JMPR.9000078] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | n.a. | root | n.a. |
PMID[10514313] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | roots | n.a. | n.a. |
PMID[10514313] |
NPO28014 | Garcinia gaudichaudii | Species | Clusiaceae | Eukaryota | n.a. | bark | n.a. |
PMID[11101460] |
NPO27986 | Lonchocarpus chiricanus | Species | Fabaceae | Eukaryota | Root barks | n.a. | n.a. |
PMID[11421729] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[11514174] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | roots | n.a. | n.a. |
PMID[11575962] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | flower | n.a. |
PMID[12130858] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | fruit | Hainan Island, China | 1998 |
PMID[12398545] |
NPO27888 | Sarcococca saligna | Species | Buxaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[14584959] |
NPO27888 | Sarcococca saligna | Species | Buxaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[14643329] |
NPO2804 | Calophyllum inophyllum | Species | Calophyllaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15678383] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[15894448] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | root | n.a. |
PMID[15894448] |
NPO2804 | Calophyllum inophyllum | Species | Calophyllaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16045947] |
NPO27695 | Centaurea sonchifolia | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[1624943] |
NPO27718 | Peperomia dindygulensis | Species | Piperaceae | Eukaryota | whole plant | Yunnan Province, China | 2002-FEB |
PMID[16309318] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | aerial parts | purchased in Juhuacun herbal market, Kunming, Yunnan Province, China | 2002-Oct |
PMID[16562826] |
NPO27718 | Peperomia dindygulensis | Species | Piperaceae | Eukaryota | whole plant | Yunnan Province, China | 2002-FEB |
PMID[16724842] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | whole plant | n.a. |
PMID[16755060] |
NPO24855 | Callicarpa americana | Species | Lamiaceae | Eukaryota | fruiting branches | n.a. | n.a. |
PMID[17279798] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[17666848] |
NPO8764 | Laurencia decumbens | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17711344] |
NPO27600 | Boesenbergia pandurata | Species | Zingiberaceae | Eukaryota | rhizomes | Pindaya Township, Shan State, Myanmar | 2004-NOV |
PMID[17896818] |
NPO15696 | Polytrichastrum alpinum | Species | Polytrichaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18053716] |
NPO9975 | Ekebergia capensis | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18220356] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[18239311] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18357994] |
NPO8653 | Leuconostoc mesenteroides | Species | Leuconostocaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[19025748] |
NPO24671 | Lycopodium japonicum | Species | Lycopodiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19245240] |
NPO13135 | Campylotropis hirtella | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19481938] |
NPO3037 | Derris indica | Species | Fabaceae | Eukaryota | root | n.a. | n.a. |
PMID[19515570] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19785430] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19948405] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19962306] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20078074] |
NPO2804 | Calophyllum inophyllum | Species | Calophyllaceae | Eukaryota | n.a. | stem | n.a. |
PMID[20188156] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[21598983] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | flower | n.a. |
PMID[21916433] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[22026410] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22277277] |
NPO3123 | Anthemis cretica | Species | Asteraceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[22351977] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | flower buds | n.a. | n.a. |
PMID[23558238] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23583435] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | seed | n.a. |
PMID[23672042] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | whole plants | Nanning District, Guangxi Province, China | 2012-Sep |
PMID[25647077] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25757283] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26020634] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26099993] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | aerial parts | Seoul, Korea | n.a. |
PMID[26331882] |
NPO448 | Millettia usaramensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26651537] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27228307] |
NPO27600 | Boesenbergia pandurata | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27508308] |
NPO27600 | Boesenbergia pandurata | Species | Zingiberaceae | Eukaryota | Rhizomes | n.a. | n.a. |
PMID[28099006] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | Flowers | n.a. | n.a. |
PMID[28156114] |
NPO12796 | Periploca sepium | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28294615] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29400471] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | Aerial Parts | n.a. | n.a. |
PMID[30726671] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31150241] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31291099] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31860304] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32223193] |
NPO19745 | Esox lucius | Species | Esocidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[3349210] |
NPO41035 | Rhus undulata | Species | Anacardiaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[6241941] |
NPO2804 | Calophyllum inophyllum | Species | Calophyllaceae | Eukaryota | n.a. | Malaysian | n.a. |
PMID[7506311] |
NPO28159 | Rubia akane | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8176404] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[8229021] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8377022] |
NPO27888 | Sarcococca saligna | Species | Buxaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9548847] |
NPO19745 | Esox lucius | Species | Esocidae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO19745 | Esox lucius | Species | Esocidae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22500 | Stephania dielsiana | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO27842 | Gentiana makinoi | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7773 | Crinum moorei | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO12796 | Periploca sepium | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13135 | Campylotropis hirtella | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO6731 | Ononis spinosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16710 | Pandanus tectorius | Species | Pandanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO27888 | Sarcococca saligna | Species | Buxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO2804 | Calophyllum inophyllum | Species | Calophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24671 | Lycopodium japonicum | Species | Lycopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3123 | Anthemis cretica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28741 | Afrocarpus gracilior | Species | Podocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24671 | Lycopodium japonicum | Species | Lycopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27888 | Sarcococca saligna | Species | Buxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23156 | Maclura cochinchinensis | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27842 | Gentiana makinoi | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22500 | Stephania dielsiana | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27397 | Drymaria cordata | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7773 | Crinum moorei | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO6731 | Ononis spinosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27882 | Boswellia ovalifoliolata | Species | Burseraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2804 | Calophyllum inophyllum | Species | Calophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO448 | Millettia usaramensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16710 | Pandanus tectorius | Species | Pandanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO12796 | Periploca sepium | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13135 | Campylotropis hirtella | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28014 | Garcinia gaudichaudii | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO6731 | Ononis spinosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16710 | Pandanus tectorius | Species | Pandanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO12796 | Periploca sepium | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO24671 | Lycopodium japonicum | Species | Lycopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO12796 | Periploca sepium | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28159 | Rubia akane | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO2012 | Turnera diffusa | Species | Passifloraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27057 | Matsucoccus josephi | Species | Margarodidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25048 | Streblognathus aethiopicus | Species | Formicidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5970.1 | Petunia axillaris subsp. parodii | Subspecies | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11190 | Veronica polita | Species | Plantaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17271 | Aegialitis annulata | Species | Plumbaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28385 | Iris kashmiriana | Species | Tarachodidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27455 | Dysidea fragilis | Species | Dysideidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9704 | Sonneratia caseolaris | Species | Lythraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27145 | Euphorbia hylonoma | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27916 | Hardenbergia violacea | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23156 | Maclura cochinchinensis | Species | Moraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27842 | Gentiana makinoi | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22691 | Mentha cardiaca | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28133 | Geigeria filifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO20584 | Cheilanthes fragrans | Species | Pteridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23384 | Rhodiola semenovii | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9756 | Daphne genkwa | Species | Thymelaeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9354 | Lepechinia urbanii | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26476 | Preussia terricola | Species | Sporormiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8764 | Laurencia decumbens | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12091 | Martensia denticulata | Species | Delesseriaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22405 | Litsea monopetala | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3578 | Andrographis paniculata | Species | Acanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1257 | Distephanus angulifolius | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25237 | Angelica saxatilis | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14756 | Ilex goshiensis | Species | Aquifoliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27953 | Eugenia formosa | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9567 | Enicosanthum cupulare | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21344 | Fadogia agrestis | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11849 | Cynoglossum macrostylum | Species | Boraginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO448 | Millettia usaramensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19826 | Helicoverpa armigera | Species | 0ctuidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28003 | Astragalus circassicus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27401 | Aniba riparia | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27854 | Sphaeria rousseliana | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27637 | Heliotropium scabrum | Species | Heliotropiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24855 | Callicarpa americana | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16298 | Quercus marilandica | Species | Fagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11576 | Glycosmis macrophylla | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27695 | Centaurea sonchifolia | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27882 | Boswellia ovalifoliolata | Species | Burseraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9136 | Pseudocyclosorus subochthodes | Species | Thelypteridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28426 | Etmopterus spinax | Species | Etmopteridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22715 | Alpinia oxyphylla | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27439 | Letharia vulpina | Species | Parmeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO865 | Dendrobium loddigesii | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22500 | Stephania dielsiana | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10922 | Pentaclethra macrophylla | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27600 | Boesenbergia pandurata | Species | Zingiberaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28412 | Amorphophallus konjac | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27816 | Pterocaulon serrulatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25835 | Parmotrema nilgherrense | Species | Parmeliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28289 | Nepytia freemani | Species | Geometridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8653 | Leuconostoc mesenteroides | Species | Leuconostocaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27506 | Orgyia pseudotsugata | Species | Lymantriidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16710 | Pandanus tectorius | Species | Pandanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2030 | Mimosa pigra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12796 | Periploca sepium | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10638 | Plectranthus myrianthus | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13135 | Campylotropis hirtella | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO526 | Salvia sessei | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10991 | Maackia tashiroi | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27135 | Tubularia larynx | Species | Tubulariidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5043 | Eria japonica | Species | Orchidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25499 | Campanula choziatowskyi | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17337 | Centaurea scoparia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27234 | Thalassiosira weissflogii | Species | Thalassiosiraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27184 | Bonellia macrocarpa | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3873 | Crotalaria candicans | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27362 | Hypericum elodes | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24671 | Lycopodium japonicum | Species | Lycopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6731 | Ononis spinosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19383 | Lactarius mitissimus | Species | Russulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8961 | Bethencourtia palmensis | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21534 | Ostrya carpinifolia | Species | Betulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9319 | Pterocaulon virgatum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16039 | Scutellaria barbata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6289 | Ceropegia dichotoma | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27780 | Flavobacterium johnsoniae | Species | Flavobacteriaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26138 | Rosmarinus officinalis | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15696 | Polytrichastrum alpinum | Species | Polytrichaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13728 | Metanarthecium luteoviride | Species | Nartheciaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27397 | Drymaria cordata | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19590 | Daedaleopsis tricolor | Species | Coriolaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28313 | Mentzelia decapetala | Species | Loasaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28574 | Oroxylum indicum | Species | Bignoniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27986 | Lonchocarpus chiricanus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28066 | Aloe speciosa | Species | Xanthorrhoeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5456 | Juniperus drupacea | Species | Cupressaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1184 | Colchicum filifolium | Species | Colchicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28159 | Rubia akane | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3123 | Anthemis cretica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26553 | Lemonia spectabilis | Species | Lemoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19745 | Esox lucius | Species | Esocidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28063 | Beilschmiedia madang | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6940 | Roseivirga echinicomitans | Species | Flammeovirgaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27702 | Matricaria sabulosa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21720 | Talaromyces variabilis | Species | Trichocomaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2804 | Calophyllum inophyllum | Species | Calophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27888 | Sarcococca saligna | Species | Buxaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26103 | Streptomyces bobili | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13138 | Acamptopappus shockleyi | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28014 | Garcinia gaudichaudii | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7773 | Crinum moorei | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27642 | Podocarpus dacrydioides | Species | Podocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8934 | Gypsophila perfoliata | Species | Caryophyllaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28044 | Erythrina hypaphorus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9975 | Ekebergia capensis | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7822.1 | Eucalyptus globulus subsp. bicostata | Subspecies | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22258 | Chrysanthemum indicum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11843 | Stephania zippeliana | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4164 | Salvia virgata | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27338 | Senecio platyphylloides | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27614 | Salix rosmarinifolia | Species | Salicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26342 | Dialium excelsum | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27718 | Peperomia dindygulensis | Species | Piperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14453 | Schizonella melanogramma | Species | Ustilaginaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16156 | Mucuna holtonii | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28206 | Aniba santalodora | Species | Lauraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26321 | Salvia patens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28741 | Afrocarpus gracilior | Species | Podocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12565 | Hypericum polyanthemum | Species | Hypericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27613 | Helleborus macranthus | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1815 | Breonia chinensis | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12205 | Eucalyptus apodophylla | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2495 | Agave xylonacantha | Species | Asparagaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6766 | Antiphiona pinnatisecta | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9532 | Vernonia cistifolia | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28083 | Salvia lavanduloides | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25626 | Euphorbia latazi | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1373 | Pulsatilla chinensis | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10605 | Tristania conferta | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21600 | Aconitum variegatum | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
☑ 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 |
---|---|---|---|---|---|---|---|---|
NPT1315 | Individual Protein | Adenosine A1 receptor | Rattus norvegicus | Displacement | < | 10.0 | % | PMID[473704] |
NPT1316 | Individual Protein | Adenosine A2a receptor | Rattus norvegicus | Displacement | < | 10.0 | % | PMID[473704] |
NPT218 | Individual Protein | Adenosine A3 receptor | Homo sapiens | Displacement | = | 69.0 | % | PMID[473704] |
NPT91 | Cell Line | KB | Homo sapiens | ED50 | = | 45.0 | ug ml-1 | PMID[473707] |
NPT1475 | Cell Line | WI-38 VA13 | Homo sapiens | IC50 | = | 38.9 | ug.mL-1 | PMID[473708] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 5.8 | % | PMID[473714] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 12.2 | % | PMID[473714] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 19.0 | % | PMID[473714] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 6.8 | % | PMID[473714] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 7.7 | % | PMID[473714] |
NPT1380 | Individual Protein | Avian myoblastosis virus polyprotein II | Avian myeloblastosis virus | Inhibition | = | 54.8 | % | PMID[473715] |
NPT3839 | Individual Protein | Voltage-gated potassium channel subunit Kv1.5 | Homo sapiens | Inhibition | < | 50.0 | % | PMID[473716] |
NPT140 | Organism | Artemia | Artemia | LC50 | > | 700.0 | ppm | PMID[473706] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | ED25 | = | 75.0 | mg kg-1 | PMID[473709] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Inhibition | = | 25.0 | % | PMID[473709] |
NPT2 | Others | Unspecified | ID50 | > | 500.0 | ug ml-1 | PMID[473710] | |
NPT991 | Individual Protein | Trypanothione reductase | Trypanosoma cruzi | Inhibition | = | 12.0 | % | PMID[473711] |
NPT2 | Others | Unspecified | IC50 | = | 4.4 | % | PMID[473712] | |
NPT20 | Organism | Candida albicans | Candida albicans | IC50 | = | 51.64 | ug.mL-1 | PMID[473717] |
☑ 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 NPC29353 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 | NPC124784 |
1.0 | High Similarity | NPC473887 |
1.0 | High Similarity | NPC47815 |
1.0 | High Similarity | NPC127447 |
1.0 | High Similarity | NPC234133 |
1.0 | High Similarity | NPC194281 |
1.0 | High Similarity | NPC231772 |
0.9924 | High Similarity | NPC250266 |
0.9924 | High Similarity | NPC266597 |
0.9847 | High Similarity | NPC13408 |
0.9774 | High Similarity | NPC152042 |
0.9774 | High Similarity | NPC143799 |
0.9774 | High Similarity | NPC241838 |
0.9774 | High Similarity | NPC78913 |
0.9774 | High Similarity | NPC18260 |
0.9769 | High Similarity | NPC274121 |
0.9769 | High Similarity | NPC50898 |
0.9769 | High Similarity | NPC78540 |
0.9769 | High Similarity | NPC213216 |
0.9701 | High Similarity | NPC184536 |
0.9701 | High Similarity | NPC146679 |
0.9701 | High Similarity | NPC159275 |
0.9701 | High Similarity | NPC241100 |
0.9701 | High Similarity | NPC59951 |
0.9701 | High Similarity | NPC269652 |
0.9701 | High Similarity | NPC281207 |
0.9701 | High Similarity | NPC103342 |
0.9701 | High Similarity | NPC103904 |
0.9701 | High Similarity | NPC230285 |
0.9699 | High Similarity | NPC188947 |
0.9699 | High Similarity | NPC99333 |
0.9699 | High Similarity | NPC201395 |
0.9699 | High Similarity | NPC280284 |
0.9695 | High Similarity | NPC172262 |
0.963 | High Similarity | NPC90582 |
0.963 | High Similarity | NPC262094 |
0.963 | High Similarity | NPC110969 |
0.963 | High Similarity | NPC282300 |
0.963 | High Similarity | NPC136840 |
0.9627 | High Similarity | NPC301217 |
0.9627 | High Similarity | NPC303633 |
0.9627 | High Similarity | NPC53181 |
0.9627 | High Similarity | NPC329203 |
0.9627 | High Similarity | NPC216978 |
0.9627 | High Similarity | NPC310135 |
0.9627 | High Similarity | NPC222342 |
0.9627 | High Similarity | NPC20709 |
0.9627 | High Similarity | NPC96565 |
0.9627 | High Similarity | NPC217186 |
0.9627 | High Similarity | NPC55018 |
0.9627 | High Similarity | NPC220062 |
0.9627 | High Similarity | NPC225153 |
0.9627 | High Similarity | NPC265871 |
0.9627 | High Similarity | NPC274784 |
0.9627 | High Similarity | NPC150648 |
0.9624 | High Similarity | NPC290291 |
0.9624 | High Similarity | NPC228661 |
0.9624 | High Similarity | NPC188879 |
0.9624 | High Similarity | NPC275055 |
0.9618 | High Similarity | NPC57601 |
0.9615 | High Similarity | NPC475589 |
0.9615 | High Similarity | NPC31872 |
0.9615 | High Similarity | NPC473584 |
0.9615 | High Similarity | NPC113006 |
0.9615 | High Similarity | NPC278556 |
0.9559 | High Similarity | NPC226636 |
0.9559 | High Similarity | NPC11561 |
0.9556 | High Similarity | NPC6407 |
0.9556 | High Similarity | NPC284550 |
0.9556 | High Similarity | NPC129853 |
0.9556 | High Similarity | NPC150522 |
0.9556 | High Similarity | NPC76445 |
0.9556 | High Similarity | NPC110228 |
0.9556 | High Similarity | NPC270883 |
0.9556 | High Similarity | NPC261227 |
0.9556 | High Similarity | NPC188243 |
0.9556 | High Similarity | NPC172986 |
0.9552 | High Similarity | NPC124269 |
0.9552 | High Similarity | NPC276905 |
0.9552 | High Similarity | NPC118813 |
0.9549 | High Similarity | NPC240593 |
0.9549 | High Similarity | NPC187432 |
0.9549 | High Similarity | NPC256042 |
0.9549 | High Similarity | NPC281917 |
0.9549 | High Similarity | NPC216361 |
0.9549 | High Similarity | NPC116775 |
0.9542 | High Similarity | NPC101294 |
0.9542 | High Similarity | NPC129132 |
0.9542 | High Similarity | NPC205468 |
0.9542 | High Similarity | NPC87231 |
0.9542 | High Similarity | NPC473655 |
0.9542 | High Similarity | NPC25937 |
0.9542 | High Similarity | NPC212631 |
0.9542 | High Similarity | NPC10971 |
0.9542 | High Similarity | NPC257756 |
0.9538 | High Similarity | NPC137264 |
0.9538 | High Similarity | NPC270369 |
0.9538 | High Similarity | NPC5515 |
0.9489 | High Similarity | NPC470216 |
0.9485 | High Similarity | NPC3188 |
0.9485 | High Similarity | NPC118840 |
0.9485 | High Similarity | NPC4743 |
0.9485 | High Similarity | NPC324386 |
0.9485 | High Similarity | NPC147688 |
0.9485 | High Similarity | NPC213322 |
0.9485 | High Similarity | NPC205006 |
0.9485 | High Similarity | NPC103362 |
0.9485 | High Similarity | NPC312391 |
0.9485 | High Similarity | NPC64908 |
0.9485 | High Similarity | NPC156590 |
0.9481 | High Similarity | NPC140890 |
0.9481 | High Similarity | NPC261234 |
0.9478 | High Similarity | NPC209560 |
0.9478 | High Similarity | NPC294409 |
0.9478 | High Similarity | NPC181124 |
0.9478 | High Similarity | NPC162680 |
0.9478 | High Similarity | NPC7013 |
0.9478 | High Similarity | NPC243083 |
0.9478 | High Similarity | NPC287246 |
0.9478 | High Similarity | NPC12296 |
0.9478 | High Similarity | NPC296490 |
0.9478 | High Similarity | NPC13768 |
0.9478 | High Similarity | NPC299379 |
0.9478 | High Similarity | NPC303644 |
0.9478 | High Similarity | NPC295261 |
0.9478 | High Similarity | NPC79943 |
0.9478 | High Similarity | NPC107586 |
0.9478 | High Similarity | NPC116632 |
0.9478 | High Similarity | NPC32441 |
0.9474 | High Similarity | NPC239495 |
0.9474 | High Similarity | NPC9985 |
0.947 | High Similarity | NPC223457 |
0.947 | High Similarity | NPC242294 |
0.947 | High Similarity | NPC175098 |
0.947 | High Similarity | NPC144051 |
0.947 | High Similarity | NPC204960 |
0.947 | High Similarity | NPC294593 |
0.947 | High Similarity | NPC139813 |
0.947 | High Similarity | NPC82225 |
0.947 | High Similarity | NPC337373 |
0.947 | High Similarity | NPC159623 |
0.947 | High Similarity | NPC188646 |
0.947 | High Similarity | NPC18877 |
0.947 | High Similarity | NPC56031 |
0.947 | High Similarity | NPC312318 |
0.947 | High Similarity | NPC20560 |
0.947 | High Similarity | NPC472365 |
0.947 | High Similarity | NPC28753 |
0.947 | High Similarity | NPC263670 |
0.947 | High Similarity | NPC192304 |
0.9466 | High Similarity | NPC262359 |
0.9466 | High Similarity | NPC308037 |
0.9466 | High Similarity | NPC64359 |
0.9466 | High Similarity | NPC284424 |
0.9462 | High Similarity | NPC115998 |
0.9462 | High Similarity | NPC39753 |
0.942 | High Similarity | NPC319752 |
0.942 | High Similarity | NPC311741 |
0.942 | High Similarity | NPC234629 |
0.942 | High Similarity | NPC273538 |
0.942 | High Similarity | NPC216538 |
0.9416 | High Similarity | NPC167624 |
0.9416 | High Similarity | NPC59739 |
0.9416 | High Similarity | NPC76338 |
0.9416 | High Similarity | NPC62840 |
0.9416 | High Similarity | NPC220998 |
0.9416 | High Similarity | NPC78803 |
0.9416 | High Similarity | NPC228504 |
0.9416 | High Similarity | NPC227579 |
0.9416 | High Similarity | NPC161506 |
0.9416 | High Similarity | NPC78 |
0.9416 | High Similarity | NPC10937 |
0.9416 | High Similarity | NPC223500 |
0.9416 | High Similarity | NPC214236 |
0.9416 | High Similarity | NPC328164 |
0.9416 | High Similarity | NPC177354 |
0.9416 | High Similarity | NPC64915 |
0.9416 | High Similarity | NPC40833 |
0.9416 | High Similarity | NPC1089 |
0.9416 | High Similarity | NPC125855 |
0.9416 | High Similarity | NPC182852 |
0.9416 | High Similarity | NPC296917 |
0.9416 | High Similarity | NPC200694 |
0.9416 | High Similarity | NPC306829 |
0.9416 | High Similarity | NPC66515 |
0.9416 | High Similarity | NPC76372 |
0.9416 | High Similarity | NPC148757 |
0.9416 | High Similarity | NPC32739 |
0.9416 | High Similarity | NPC166482 |
0.9416 | High Similarity | NPC202981 |
0.9416 | High Similarity | NPC473042 |
0.9416 | High Similarity | NPC324134 |
0.9416 | High Similarity | NPC107572 |
0.9416 | High Similarity | NPC299080 |
0.9416 | High Similarity | NPC265040 |
0.9416 | High Similarity | NPC293852 |
0.9416 | High Similarity | NPC37496 |
0.9416 | High Similarity | NPC166934 |
0.9416 | High Similarity | NPC194432 |
0.9416 | High Similarity | NPC217083 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC29353 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 |
---|---|---|---|
0.9478 | High Similarity | NPD1552 | Clinical (unspecified phase) |
0.9478 | High Similarity | NPD1550 | Clinical (unspecified phase) |
0.942 | High Similarity | NPD4378 | Clinical (unspecified phase) |
0.9407 | High Similarity | NPD1549 | Phase 2 |
0.9328 | High Similarity | NPD1510 | Phase 2 |
0.9318 | High Similarity | NPD1240 | Approved |
0.9179 | High Similarity | NPD1607 | Approved |
0.9143 | High Similarity | NPD7410 | Clinical (unspecified phase) |
0.9118 | High Similarity | NPD2796 | Approved |
0.9071 | High Similarity | NPD1511 | Approved |
0.8944 | High Similarity | NPD1512 | Approved |
0.8904 | High Similarity | NPD2801 | Approved |
0.8836 | High Similarity | NPD1934 | Approved |
0.8803 | High Similarity | NPD6799 | Approved |
0.8776 | High Similarity | NPD2393 | Clinical (unspecified phase) |
0.8767 | High Similarity | NPD7411 | Suspended |
0.8723 | High Similarity | NPD3750 | Approved |
0.8716 | High Similarity | NPD8443 | Clinical (unspecified phase) |
0.8714 | High Similarity | NPD970 | Clinical (unspecified phase) |
0.8699 | High Similarity | NPD4380 | Phase 2 |
0.8603 | High Similarity | NPD6859 | Clinical (unspecified phase) |
0.86 | High Similarity | NPD4381 | Clinical (unspecified phase) |
0.86 | High Similarity | NPD7075 | Discontinued |
0.8581 | High Similarity | NPD6801 | Discontinued |
0.8571 | High Similarity | NPD1551 | Phase 2 |
0.8533 | High Similarity | NPD3882 | Suspended |
0.8523 | High Similarity | NPD7096 | Clinical (unspecified phase) |
0.8523 | High Similarity | NPD7819 | Suspended |
0.8467 | Intermediate Similarity | NPD3817 | Phase 2 |
0.8446 | Intermediate Similarity | NPD6599 | Discontinued |
0.8392 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.8392 | Intermediate Similarity | NPD2800 | Approved |
0.837 | Intermediate Similarity | NPD1203 | Approved |
0.8369 | Intermediate Similarity | NPD3748 | Approved |
0.8367 | Intermediate Similarity | NPD5403 | Approved |
0.8356 | Intermediate Similarity | NPD5401 | Approved |
0.8355 | Intermediate Similarity | NPD3749 | Approved |
0.8333 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.8321 | Intermediate Similarity | NPD1548 | Phase 1 |
0.8289 | Intermediate Similarity | NPD7768 | Phase 2 |
0.8269 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.8269 | Intermediate Similarity | NPD6166 | Phase 2 |
0.8269 | Intermediate Similarity | NPD6167 | Clinical (unspecified phase) |
0.8269 | Intermediate Similarity | NPD6168 | Clinical (unspecified phase) |
0.8264 | Intermediate Similarity | NPD1243 | Approved |
0.8252 | Intermediate Similarity | NPD2344 | Approved |
0.8228 | Intermediate Similarity | NPD7054 | Approved |
0.8228 | Intermediate Similarity | NPD7804 | Clinical (unspecified phase) |
0.8227 | Intermediate Similarity | NPD6651 | Approved |
0.8209 | Intermediate Similarity | NPD422 | Phase 1 |
0.8194 | Intermediate Similarity | NPD6959 | Discontinued |
0.8176 | Intermediate Similarity | NPD7472 | Approved |
0.8165 | Intermediate Similarity | NPD3818 | Discontinued |
0.8148 | Intermediate Similarity | NPD9717 | Approved |
0.8125 | Intermediate Similarity | NPD6797 | Phase 2 |
0.8121 | Intermediate Similarity | NPD920 | Approved |
0.8095 | Intermediate Similarity | NPD643 | Clinical (unspecified phase) |
0.8075 | Intermediate Similarity | NPD7251 | Discontinued |
0.8074 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.8071 | Intermediate Similarity | NPD2313 | Discontinued |
0.8071 | Intermediate Similarity | NPD3268 | Approved |
0.8063 | Intermediate Similarity | NPD7074 | Phase 3 |
0.8058 | Intermediate Similarity | NPD6832 | Phase 2 |
0.8056 | Intermediate Similarity | NPD2935 | Discontinued |
0.8029 | Intermediate Similarity | NPD3225 | Approved |
0.8027 | Intermediate Similarity | NPD2309 | Approved |
0.8025 | Intermediate Similarity | NPD7808 | Phase 3 |
0.8025 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7987 | Intermediate Similarity | NPD642 | Clinical (unspecified phase) |
0.7987 | Intermediate Similarity | NPD5402 | Approved |
0.7986 | Intermediate Similarity | NPD7033 | Discontinued |
0.7986 | Intermediate Similarity | NPD2799 | Discontinued |
0.7971 | Intermediate Similarity | NPD2797 | Approved |
0.7958 | Intermediate Similarity | NPD943 | Approved |
0.7941 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7935 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.7931 | Intermediate Similarity | NPD6099 | Approved |
0.7931 | Intermediate Similarity | NPD6100 | Approved |
0.7929 | Intermediate Similarity | NPD4908 | Phase 1 |
0.7914 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.7914 | Intermediate Similarity | NPD2798 | Approved |
0.7911 | Intermediate Similarity | NPD6232 | Discontinued |
0.7901 | Intermediate Similarity | NPD5953 | Discontinued |
0.7898 | Intermediate Similarity | NPD5494 | Approved |
0.7891 | Intermediate Similarity | NPD2654 | Approved |
0.7888 | Intermediate Similarity | NPD7286 | Phase 2 |
0.7875 | Intermediate Similarity | NPD7473 | Discontinued |
0.7867 | Intermediate Similarity | NPD2532 | Approved |
0.7867 | Intermediate Similarity | NPD2534 | Approved |
0.7867 | Intermediate Similarity | NPD2533 | Approved |
0.7862 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7862 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7842 | Intermediate Similarity | NPD3267 | Approved |
0.7842 | Intermediate Similarity | NPD3266 | Approved |
0.7838 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7817 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7778 | Intermediate Similarity | NPD1933 | Approved |
0.7778 | Intermediate Similarity | NPD9545 | Approved |
0.7778 | Intermediate Similarity | NPD3226 | Approved |
0.7761 | Intermediate Similarity | NPD9493 | Approved |
0.7744 | Intermediate Similarity | NPD6559 | Discontinued |
0.7722 | Intermediate Similarity | NPD919 | Approved |
0.7692 | Intermediate Similarity | NPD1296 | Phase 2 |
0.7669 | Intermediate Similarity | NPD1241 | Discontinued |
0.7655 | Intermediate Similarity | NPD1899 | Clinical (unspecified phase) |
0.7643 | Intermediate Similarity | NPD4288 | Approved |
0.764 | Intermediate Similarity | NPD3926 | Phase 2 |
0.7635 | Intermediate Similarity | NPD2346 | Discontinued |
0.7626 | Intermediate Similarity | NPD1608 | Approved |
0.7626 | Intermediate Similarity | NPD3972 | Approved |
0.7625 | Intermediate Similarity | NPD1247 | Approved |
0.76 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7586 | Intermediate Similarity | NPD4307 | Phase 2 |
0.758 | Intermediate Similarity | NPD1465 | Phase 2 |
0.7569 | Intermediate Similarity | NPD411 | Approved |
0.7566 | Intermediate Similarity | NPD7390 | Discontinued |
0.7561 | Intermediate Similarity | NPD5844 | Phase 1 |
0.7558 | Intermediate Similarity | NPD4363 | Phase 3 |
0.7558 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7552 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.7535 | Intermediate Similarity | NPD1019 | Discontinued |
0.7534 | Intermediate Similarity | NPD5124 | Phase 1 |
0.7534 | Intermediate Similarity | NPD230 | Phase 1 |
0.7534 | Intermediate Similarity | NPD447 | Suspended |
0.7534 | Intermediate Similarity | NPD5123 | Clinical (unspecified phase) |
0.7532 | Intermediate Similarity | NPD6980 | Clinical (unspecified phase) |
0.7514 | Intermediate Similarity | NPD4361 | Phase 2 |
0.7514 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.75 | Intermediate Similarity | NPD1481 | Phase 2 |
0.7483 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.7471 | Intermediate Similarity | NPD8090 | Clinical (unspecified phase) |
0.747 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.7466 | Intermediate Similarity | NPD1613 | Approved |
0.7466 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.7452 | Intermediate Similarity | NPD7615 | Clinical (unspecified phase) |
0.7448 | Intermediate Similarity | NPD6798 | Discontinued |
0.7448 | Intermediate Similarity | NPD3764 | Approved |
0.7431 | Intermediate Similarity | NPD1008 | Clinical (unspecified phase) |
0.7429 | Intermediate Similarity | NPD1535 | Discovery |
0.7429 | Intermediate Similarity | NPD1201 | Approved |
0.7421 | Intermediate Similarity | NPD2296 | Approved |
0.741 | Intermediate Similarity | NPD17 | Approved |
0.741 | Intermediate Similarity | NPD1729 | Discontinued |
0.7403 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7391 | Intermediate Similarity | NPD1894 | Discontinued |
0.7383 | Intermediate Similarity | NPD651 | Clinical (unspecified phase) |
0.7379 | Intermediate Similarity | NPD4625 | Phase 3 |
0.7378 | Intermediate Similarity | NPD7784 | Clinical (unspecified phase) |
0.7343 | Intermediate Similarity | NPD1470 | Approved |
0.7338 | Intermediate Similarity | NPD6143 | Clinical (unspecified phase) |
0.7326 | Intermediate Similarity | NPD4287 | Approved |
0.7324 | Intermediate Similarity | NPD4749 | Approved |
0.7321 | Intermediate Similarity | NPD6104 | Discontinued |
0.732 | Intermediate Similarity | NPD2354 | Approved |
0.7303 | Intermediate Similarity | NPD1652 | Phase 2 |
0.7296 | Intermediate Similarity | NPD6844 | Discontinued |
0.7289 | Intermediate Similarity | NPD3751 | Discontinued |
0.7285 | Intermediate Similarity | NPD1471 | Phase 3 |
0.7279 | Intermediate Similarity | NPD6233 | Phase 2 |
0.7273 | Intermediate Similarity | NPD1876 | Approved |
0.7256 | Intermediate Similarity | NPD5711 | Approved |
0.7256 | Intermediate Similarity | NPD5710 | Approved |
0.7233 | Intermediate Similarity | NPD5890 | Approved |
0.7233 | Intermediate Similarity | NPD5889 | Approved |
0.723 | Intermediate Similarity | NPD3142 | Approved |
0.723 | Intermediate Similarity | NPD3140 | Approved |
0.7226 | Intermediate Similarity | NPD7212 | Phase 2 |
0.7226 | Intermediate Similarity | NPD7213 | Phase 3 |
0.7222 | Intermediate Similarity | NPD1164 | Approved |
0.7222 | Intermediate Similarity | NPD6971 | Discontinued |
0.7215 | Intermediate Similarity | NPD7458 | Discontinued |
0.7195 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7186 | Intermediate Similarity | NPD5940 | Clinical (unspecified phase) |
0.7181 | Intermediate Similarity | NPD6355 | Discontinued |
0.7179 | Intermediate Similarity | NPD7447 | Phase 1 |
0.7179 | Intermediate Similarity | NPD4662 | Approved |
0.7179 | Intermediate Similarity | NPD4661 | Approved |
0.7171 | Intermediate Similarity | NPD2343 | Clinical (unspecified phase) |
0.7171 | Intermediate Similarity | NPD2355 | Clinical (unspecified phase) |
0.7171 | Intermediate Similarity | NPD2353 | Approved |
0.717 | Intermediate Similarity | NPD6585 | Discontinued |
0.7169 | Intermediate Similarity | NPD2403 | Approved |
0.7164 | Intermediate Similarity | NPD9266 | Approved |
0.7164 | Intermediate Similarity | NPD74 | Approved |
0.7161 | Intermediate Similarity | NPD7440 | Discontinued |
0.7152 | Intermediate Similarity | NPD7229 | Phase 3 |
0.7152 | Intermediate Similarity | NPD3787 | Discontinued |
0.7151 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.7143 | Intermediate Similarity | NPD3027 | Phase 3 |
0.7143 | Intermediate Similarity | NPD7003 | Approved |
0.7123 | Intermediate Similarity | NPD2861 | Phase 2 |
0.7123 | Intermediate Similarity | NPD9494 | Approved |
0.7108 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7107 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7105 | Intermediate Similarity | NPD5408 | Approved |
0.7105 | Intermediate Similarity | NPD5405 | Approved |
0.7105 | Intermediate Similarity | NPD5404 | Approved |
0.7105 | Intermediate Similarity | NPD5406 | Approved |
0.7104 | Intermediate Similarity | NPD7584 | Approved |
0.7097 | Intermediate Similarity | NPD3887 | 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.