Molecular Weight:   | 165.08 |
Volume:   | 173.695 |
LogP:   | -1.507 |
LogD:   | 0.406 |
LogS:   | -1.627 |
# Rotatable Bonds:   | 3 |
TPSA:   | 63.32 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 3 |
# Rings:   | 1 |
# Heavy Atoms:   | 3 |
QED Drug-Likeness Score:   | 0.69 |
Synthetic Accessibility Score:   | 1.882 |
Fsp3:   | 0.222 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Rejected |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -5.579 |
MDCK Permeability:   | 0.001067422330379486 |
Pgp-inhibitor:   | 0.0 |
Pgp-substrate:   | 0.159 |
Human Intestinal Absorption (HIA):   | 0.016 |
20% Bioavailability (F20%):   | 0.001 |
30% Bioavailability (F30%):   | 0.0 |
Blood-Brain-Barrier Penetration (BBB):   | 0.524 |
Plasma Protein Binding (PPB):   | 31.094249725341797% |
Volume Distribution (VD):   | 0.42 |
Pgp-substrate:   | 69.74173736572266% |
CYP1A2-inhibitor:   | 0.062 |
CYP1A2-substrate:   | 0.049 |
CYP2C19-inhibitor:   | 0.043 |
CYP2C19-substrate:   | 0.09 |
CYP2C9-inhibitor:   | 0.005 |
CYP2C9-substrate:   | 0.169 |
CYP2D6-inhibitor:   | 0.154 |
CYP2D6-substrate:   | 0.322 |
CYP3A4-inhibitor:   | 0.013 |
CYP3A4-substrate:   | 0.099 |
Clearance (CL):   | 13.104 |
Half-life (T1/2):   | 0.763 |
hERG Blockers:   | 0.093 |
Human Hepatotoxicity (H-HT):   | 0.193 |
Drug-inuced Liver Injury (DILI):   | 0.017 |
AMES Toxicity:   | 0.015 |
Rat Oral Acute Toxicity:   | 0.693 |
Maximum Recommended Daily Dose:   | 0.014 |
Skin Sensitization:   | 0.257 |
Carcinogencity:   | 0.05 |
Eye Corrosion:   | 0.014 |
Eye Irritation:   | 0.127 |
Respiratory Toxicity:   | 0.331 |
Natural Product ID:   | NPC293628 |
Common Name*:   | Dl-Phenylalanine |
IUPAC Name:   | 2-azaniumyl-3-phenylpropanoate |
Synonyms:   | |
Standard InCHIKey:   | COLNVLDHVKWLRT-UHFFFAOYSA-N |
Standard InCHI:   | InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12) |
SMILES:   | NC(C(=O)O)Cc1ccccc1 |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL25080 |
PubChem CID:   |
57397115 994 |
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 |
---|---|---|---|---|---|---|---|---|
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | seed | n.a. | DOI[10.1007/s11418-005-0009-z] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | DOI[10.1016/0045-6535(91)90110-Y] | |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2004.07.004] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2004.07.004] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2005.08.001] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2005.08.001] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/j.jfca.2005.08.001] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | retail stores, supermarkets and market stalls in Forssa and in the Helsinki area | 2003–2005 | DOI[10.1016/j.jfca.2006.05.007] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | retail stores, supermarkets and market stalls in Forssa and in the Helsinki area | 2003–2005 | DOI[10.1016/j.jfca.2006.05.007] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/S0031-9422(00)89267-5] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | leaf | n.a. | DOI[10.1016/S0031-9422(01)00320-X] |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | Fruit | n.a. | n.a. | DOI[10.1016/S0963-9969(99)00095-2] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1021/jf980687v] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | root | n.a. | DOI[10.1271/bbb1961.42.623] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.3923/pjbs.2013.1138.1144] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | 1996-Sep |
PMID[10352947] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[11738417] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12379786] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12882150] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[12932131] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15666542] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15877880] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16748484] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[17262437] |
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Onehunga, New Zealand, |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Warminster, PA |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | n.a. |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Cornell Univeristy, Ithaca |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Petone, New Zealand |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Randolph, WI |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Shenandoah, IA |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Winslow, ME |
PMID[17439238] |
|
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seeds | Cornell University, Geneva, NY |
PMID[17439238] |
|
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18270436] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18326559] |
NPO27241 | Prunus tomentosa | Species | Rosaceae | Eukaryota | n.a. | seed | n.a. |
PMID[18449498] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18460139] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | Northeastern Regional Plant Introduction Station at Geneva | 1966, 1967, and 1968 crop seasons |
PMID[18460139] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18460139] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18460139] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18460139] |
NPO21027 | Daphnia magna | Species | Daphniidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20117838] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20460582] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20597533] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | seed | n.a. |
PMID[21049975] |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | n.a. | n.a. | n.a. |
PMID[21381697] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21381697] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21448706] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[21462031] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | exocarp | n.a. |
PMID[21800857] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21800857] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21800857] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | root | n.a. |
PMID[21800857] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21856162] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23001436] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | Essential oil | n.a. | n.a. |
PMID[23163425] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23189738] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23507362] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23656415] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23793896] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23865201] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24014097] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24128451] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | bulb | n.a. |
PMID[24508058] |
NPO27241 | Prunus tomentosa | Species | Rosaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[24767839] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24868877] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[24919480] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | seed | n.a. |
PMID[24967651] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | aerial part | n.a. |
PMID[25154406] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[25172746] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25650289] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25650289] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25700090] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | garlic skin | n.a. | n.a. |
PMID[25726329] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27617953] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[28257196] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[2831703] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31397570] |
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Fruits | Wolkowo, Poland | 2016-Oct |
PMID[31487816] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[31742403] |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[33118348] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | trunk bark | n.a. |
PMID[556731] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6705789] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6821187] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6821187] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8350088] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8910532] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[9134744] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[9433811] |
NPO21027 | Daphnia magna | Species | Daphniidae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Roots | n.a. | Database[FooDB] | |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Cotyledon | n.a. | n.a. | Database[FooDB] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | Pericarp | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Tissue Culture | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | Tuber | n.a. | n.a. | Database[FooDB] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | Leaves | n.a. | Database[FooDB] | |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | Seed | n.a. | n.a. | Database[FooDB] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | Flower | n.a. | n.a. | Database[FooDB] |
NPO27241 | Prunus tomentosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Pericarp | n.a. | n.a. | Database[FooDB] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | n.a. | n.a. | Database[FooDB] | |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Roots | n.a. | Database[FooDB] | |
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | Flower | n.a. | n.a. | Database[FooDB] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO18665 | Amelanchier alnifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | Fruits | n.a. | Database[FooDB] | |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Seed Oil | n.a. | n.a. | Database[FooDB] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Root Essent. Oil | n.a. | n.a. | Database[FooDB] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | Tubers | n.a. | Database[FooDB] | |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | Fruit | n.a. | n.a. | Database[FooDB] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | Leaf | n.a. | n.a. | Database[FooDB] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | Shoot | n.a. | n.a. | Database[FooDB] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Sprout Seedling | n.a. | n.a. | Database[FooDB] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | Sprout Seedling | n.a. | n.a. | Database[FooDB] |
NPO3938 | Cucurbita pepo | Species | Cucurbitaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Resin, Exudate, Sap | n.a. | n.a. | Database[FooDB] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | Sprout Seedling | n.a. | n.a. | Database[FooDB] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | Fruit Juice | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO3938 | Cucurbita pepo | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | Stem | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Hay | n.a. | n.a. | Database[FooDB] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | Bulb | n.a. | n.a. | Database[FooDB] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | Stem | n.a. | n.a. | Database[FooDB] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | Hull Husk | n.a. | n.a. | Database[FooDB] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | Bulb | n.a. | n.a. | Database[FooDB] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | Oil | n.a. | n.a. | Database[FooDB] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | Tissue Culture | n.a. | n.a. | Database[FooDB] |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | Latex Exudate | n.a. | n.a. | Database[FooDB] |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22659 | Codonopsis subglobosa | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3938 | Cucurbita pepo | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO27241 | Prunus tomentosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22659 | Codonopsis subglobosa | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO27241 | Prunus tomentosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3938 | Cucurbita pepo | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22659 | Codonopsis subglobosa | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3938 | Cucurbita pepo | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16741.2 | Codonopsis pilosula nannf. var. modesta (nannf.) l.t. shen | Varieties | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO17030 | Calvatia lilacina | Species | Lycoperdaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5986 | Ziziphus jujuba | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14964 | Calvatia gigantea | Species | Lycoperdaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7576 | Brassica oleracea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO163 | Daucus carota | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2776 | Lactuca sativa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7732 | Solanum melongena | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19048 | Pinellia ternata | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23230 | Allium cepa | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7530 | Cucumis sativus | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29007 | Brassica juncea | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18665 | Amelanchier alnifolia | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO25583 | Beta vulgaris | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14582 | Spinacia oleracea | Species | Chenopodiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17030 | Calvatia lilacina | Species | Lycoperdaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13642 | Pastinaca sativa | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO27241 | Prunus tomentosa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11120 | Brassica rapa | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22132 | Hordeum vulgare | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7103 | Allium sativum | Species | Amaryllidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4934 | Phaseolus vulgaris | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22659 | Codonopsis subglobosa | Species | Campanulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21460 | Anethum graveolens | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3938 | Cucurbita pepo | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8881 | Centipeda minima | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16509 | Avena sativa | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26293 | Ginkgo biloba | Species | Ginkgoaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23429 | Lycium barbarum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO659 | Secale cereale | Species | Poaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO441 | Cucurbita maxima | Species | Cucurbitaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21027 | Daphnia magna | Species | Daphniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21845 | Calvatia fenzlii | Species | Lycoperdaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO784 | Sinapis alba | Species | Brassicaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16501 | Capsicum annuum | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO19774 | Rubus idaeus | Species | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4359 | Solanum tuberosum | Species | Solanaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPO16501 | NPC293628 | Other | n.a. | 50 | n.a. | n.a. | mg/100g | Database [All-Creatures] |
NPO16501 | NPC293628 | Other | n.a. | 27 | n.a. | n.a. | mg/100g | Database [DTU] |
NPO16501 | NPC293628 | Other | n.a. | 40000 | n.a. | n.a. | mg/100g | Database [DTU] |
NPO3938 | NPC293628 | Other | n.a. | 43 | n.a. | n.a. | mg/100g | Database [DTU] |
NPO22132 | NPC293628 | Other | n.a. | 222.7280899 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7576 | NPC293628 | Other | n.a. | 147.16 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO163 | NPC293628 | Other | n.a. | 32.1 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7530 | NPC293628 | Other | n.a. | 13.7 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO27241 | NPC293628 | Other | n.a. | 6.1 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO21460 | NPC293628 | Other | n.a. | 268.51 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7732 | NPC293628 | Other | n.a. | 44.68 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16501 | NPC293628 | Other | n.a. | 18.8 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO3938 | NPC293628 | Other | n.a. | 87.99 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO2776 | NPC293628 | Other | n.a. | 32.3 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO2776 | NPC293628 | Other | n.a. | 44.6 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16509 | NPC293628 | Other | n.a. | 281.5053065 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO23230 | NPC293628 | Other | n.a. | 39.1 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16501 | NPC293628 | Other | n.a. | 39.02 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO13642 | NPC293628 | Other | n.a. | 67.28584225 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO4359 | NPC293628 | Other | n.a. | 74.54 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16501 | NPC293628 | Other | n.a. | 34.77684211 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO25583 | NPC293628 | Other | n.a. | 10.9 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO659 | NPC293628 | Other | n.a. | 237.8 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO14582 | NPC293628 | Other | n.a. | 91.3 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO18665 | NPC293628 | Other | n.a. | 9.6 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO3938 | NPC293628 | Other | n.a. | 57.8 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO25583 | NPC293628 | Other | n.a. | 98.23654734 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO19774 | NPC293628 | Other | n.a. | 6.200978462 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7576 | NPC293628 | Other | n.a. | 24.68 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO3938 | NPC293628 | Other | n.a. | 39.93 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO441 | NPC293628 | Other | n.a. | 90.6 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO4934 | NPC293628 | Other | n.a. | 39.8 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO11120 | NPC293628 | Other | n.a. | 13.1 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO4934 | NPC293628 | Other | n.a. | 56.2 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16501 | NPC293628 | Other | n.a. | 28.33 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO22132 | NPC293628 | Other | n.a. | 540 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7576 | NPC293628 | Other | n.a. | 200 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO163 | NPC293628 | Other | n.a. | 26 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7530 | NPC293628 | Other | n.a. | 17 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO27241 | NPC293628 | Other | n.a. | 24 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7732 | NPC293628 | Other | n.a. | 41 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16501 | NPC293628 | Other | n.a. | 27 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO3938 | NPC293628 | Other | n.a. | 43 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO2776 | NPC293628 | Other | n.a. | 65 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16509 | NPC293628 | Other | n.a. | 750 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO23230 | NPC293628 | Other | n.a. | 35 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO16501 | NPC293628 | Other | n.a. | 40 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO4359 | NPC293628 | Other | n.a. | 77 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO25583 | NPC293628 | Other | n.a. | 16 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO659 | NPC293628 | Other | n.a. | 430 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO14582 | NPC293628 | Other | n.a. | 120 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO18665 | NPC293628 | Other | n.a. | 15 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO3938 | NPC293628 | Other | n.a. | 47 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO25583 | NPC293628 | Other | n.a. | 110 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO7576 | NPC293628 | Other | n.a. | 22 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO441 | NPC293628 | Other | n.a. | 150 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO4934 | NPC293628 | Other | n.a. | 52 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO11120 | NPC293628 | Other | n.a. | 12 | n.a. | n.a. | mg/100g | Database [FooDB] |
NPO4934 | NPC293628 | Other | n.a. | 57 | n.a. | n.a. | mg/100g | Database [FooDB] |
☑ 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 |
---|---|---|---|---|---|---|---|---|
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | n.a. | 100000.0 | nM | PMID[523777] |
NPT2 | Others | Unspecified | Potency | n.a. | 33491.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 37578 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 7562.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 29849.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 18833.6 | nM | PubChem BioAssay data set |
☑ 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 NPC293628 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 | NPC122493 |
1.0 | High Similarity | NPC10781 |
0.978 | High Similarity | NPC324569 |
0.9278 | High Similarity | NPC67043 |
0.9271 | High Similarity | NPC164859 |
0.8958 | High Similarity | NPC12730 |
0.8824 | High Similarity | NPC319579 |
0.88 | High Similarity | NPC327481 |
0.8738 | High Similarity | NPC329011 |
0.8654 | High Similarity | NPC474584 |
0.8469 | Intermediate Similarity | NPC322598 |
0.8411 | Intermediate Similarity | NPC197470 |
0.8333 | Intermediate Similarity | NPC106551 |
0.8333 | Intermediate Similarity | NPC281686 |
0.8333 | Intermediate Similarity | NPC188867 |
0.8222 | Intermediate Similarity | NPC127343 |
0.8113 | Intermediate Similarity | NPC313981 |
0.8108 | Intermediate Similarity | NPC239697 |
0.8018 | Intermediate Similarity | NPC142638 |
0.8018 | Intermediate Similarity | NPC317784 |
0.7981 | Intermediate Similarity | NPC476198 |
0.7965 | Intermediate Similarity | NPC326079 |
0.7959 | Intermediate Similarity | NPC323164 |
0.7957 | Intermediate Similarity | NPC285773 |
0.7957 | Intermediate Similarity | NPC44830 |
0.7917 | Intermediate Similarity | NPC325441 |
0.7879 | Intermediate Similarity | NPC291070 |
0.7879 | Intermediate Similarity | NPC246757 |
0.7857 | Intermediate Similarity | NPC314992 |
0.7838 | Intermediate Similarity | NPC2265 |
0.7826 | Intermediate Similarity | NPC35996 |
0.7789 | Intermediate Similarity | NPC95965 |
0.7755 | Intermediate Similarity | NPC258627 |
0.7739 | Intermediate Similarity | NPC27581 |
0.7629 | Intermediate Similarity | NPC322387 |
0.7627 | Intermediate Similarity | NPC477937 |
0.7611 | Intermediate Similarity | NPC169328 |
0.7573 | Intermediate Similarity | NPC164514 |
0.7573 | Intermediate Similarity | NPC108606 |
0.7573 | Intermediate Similarity | NPC290515 |
0.7573 | Intermediate Similarity | NPC303611 |
0.7573 | Intermediate Similarity | NPC226096 |
0.7563 | Intermediate Similarity | NPC58827 |
0.7563 | Intermediate Similarity | NPC307437 |
0.7563 | Intermediate Similarity | NPC72473 |
0.7551 | Intermediate Similarity | NPC329064 |
0.7544 | Intermediate Similarity | NPC310467 |
0.75 | Intermediate Similarity | NPC16031 |
0.75 | Intermediate Similarity | NPC161593 |
0.75 | Intermediate Similarity | NPC145888 |
0.75 | Intermediate Similarity | NPC226438 |
0.7478 | Intermediate Similarity | NPC319950 |
0.7453 | Intermediate Similarity | NPC471317 |
0.7451 | Intermediate Similarity | NPC215351 |
0.7451 | Intermediate Similarity | NPC20142 |
0.7438 | Intermediate Similarity | NPC325651 |
0.7414 | Intermediate Similarity | NPC190663 |
0.7414 | Intermediate Similarity | NPC80150 |
0.74 | Intermediate Similarity | NPC70940 |
0.74 | Intermediate Similarity | NPC274455 |
0.74 | Intermediate Similarity | NPC86670 |
0.7396 | Intermediate Similarity | NPC288903 |
0.7363 | Intermediate Similarity | NPC122327 |
0.7363 | Intermediate Similarity | NPC113000 |
0.7363 | Intermediate Similarity | NPC112609 |
0.7327 | Intermediate Similarity | NPC317645 |
0.7317 | Intermediate Similarity | NPC48909 |
0.7288 | Intermediate Similarity | NPC142577 |
0.7288 | Intermediate Similarity | NPC160493 |
0.7282 | Intermediate Similarity | NPC161972 |
0.7282 | Intermediate Similarity | NPC303045 |
0.7265 | Intermediate Similarity | NPC478015 |
0.7265 | Intermediate Similarity | NPC478014 |
0.7265 | Intermediate Similarity | NPC478016 |
0.7258 | Intermediate Similarity | NPC88667 |
0.7257 | Intermediate Similarity | NPC35850 |
0.7257 | Intermediate Similarity | NPC276949 |
0.7245 | Intermediate Similarity | NPC294134 |
0.7241 | Intermediate Similarity | NPC237420 |
0.7228 | Intermediate Similarity | NPC316108 |
0.7222 | Intermediate Similarity | NPC229235 |
0.7222 | Intermediate Similarity | NPC150254 |
0.7222 | Intermediate Similarity | NPC147000 |
0.7222 | Intermediate Similarity | NPC304761 |
0.7222 | Intermediate Similarity | NPC226778 |
0.7212 | Intermediate Similarity | NPC25565 |
0.7212 | Intermediate Similarity | NPC3371 |
0.7203 | Intermediate Similarity | NPC56634 |
0.7203 | Intermediate Similarity | NPC71684 |
0.7193 | Intermediate Similarity | NPC33742 |
0.7157 | Intermediate Similarity | NPC110704 |
0.7157 | Intermediate Similarity | NPC86987 |
0.7143 | Intermediate Similarity | NPC475439 |
0.7143 | Intermediate Similarity | NPC473501 |
0.7143 | Intermediate Similarity | NPC314835 |
0.7143 | Intermediate Similarity | NPC311242 |
0.7143 | Intermediate Similarity | NPC155429 |
0.7128 | Intermediate Similarity | NPC290638 |
0.7128 | Intermediate Similarity | NPC325662 |
0.7128 | Intermediate Similarity | NPC98269 |
0.7115 | Intermediate Similarity | NPC172925 |
0.7107 | Intermediate Similarity | NPC4974 |
0.7107 | Intermediate Similarity | NPC47667 |
0.7091 | Intermediate Similarity | NPC274089 |
0.7091 | Intermediate Similarity | NPC191215 |
0.7083 | Intermediate Similarity | NPC309279 |
0.7083 | Intermediate Similarity | NPC192623 |
0.704 | Intermediate Similarity | NPC326966 |
0.7037 | Intermediate Similarity | NPC327226 |
0.7037 | Intermediate Similarity | NPC318154 |
0.7031 | Intermediate Similarity | NPC132636 |
0.703 | Intermediate Similarity | NPC477704 |
0.703 | Intermediate Similarity | NPC477693 |
0.7025 | Intermediate Similarity | NPC222466 |
0.6992 | Remote Similarity | NPC199738 |
0.6992 | Remote Similarity | NPC321561 |
0.6992 | Remote Similarity | NPC210950 |
0.6992 | Remote Similarity | NPC476353 |
0.6981 | Remote Similarity | NPC477767 |
0.6972 | Remote Similarity | NPC202613 |
0.6967 | Remote Similarity | NPC101719 |
0.6961 | Remote Similarity | NPC470877 |
0.6961 | Remote Similarity | NPC9822 |
0.6939 | Remote Similarity | NPC323103 |
0.6935 | Remote Similarity | NPC311753 |
0.6935 | Remote Similarity | NPC296712 |
0.6931 | Remote Similarity | NPC471638 |
0.6923 | Remote Similarity | NPC282087 |
0.6923 | Remote Similarity | NPC14672 |
0.6923 | Remote Similarity | NPC259800 |
0.6923 | Remote Similarity | NPC318028 |
0.6923 | Remote Similarity | NPC328137 |
0.6923 | Remote Similarity | NPC318984 |
0.6923 | Remote Similarity | NPC285926 |
0.6923 | Remote Similarity | NPC241086 |
0.6923 | Remote Similarity | NPC315276 |
0.6923 | Remote Similarity | NPC317741 |
0.6916 | Remote Similarity | NPC229242 |
0.6916 | Remote Similarity | NPC160548 |
0.6916 | Remote Similarity | NPC271475 |
0.6916 | Remote Similarity | NPC175852 |
0.6916 | Remote Similarity | NPC210529 |
0.6915 | Remote Similarity | NPC276699 |
0.6907 | Remote Similarity | NPC121800 |
0.6903 | Remote Similarity | NPC158854 |
0.6899 | Remote Similarity | NPC287358 |
0.6893 | Remote Similarity | NPC78041 |
0.6893 | Remote Similarity | NPC62765 |
0.6893 | Remote Similarity | NPC141139 |
0.6893 | Remote Similarity | NPC209764 |
0.6893 | Remote Similarity | NPC121872 |
0.6893 | Remote Similarity | NPC471307 |
0.6893 | Remote Similarity | NPC84288 |
0.6893 | Remote Similarity | NPC74936 |
0.6893 | Remote Similarity | NPC159178 |
0.688 | Remote Similarity | NPC478147 |
0.687 | Remote Similarity | NPC57976 |
0.6869 | Remote Similarity | NPC270507 |
0.6864 | Remote Similarity | NPC470545 |
0.686 | Remote Similarity | NPC84281 |
0.686 | Remote Similarity | NPC317474 |
0.686 | Remote Similarity | NPC291027 |
0.686 | Remote Similarity | NPC169485 |
0.686 | Remote Similarity | NPC213126 |
0.6852 | Remote Similarity | NPC125732 |
0.6852 | Remote Similarity | NPC217621 |
0.6852 | Remote Similarity | NPC245561 |
0.6842 | Remote Similarity | NPC139658 |
0.6838 | Remote Similarity | NPC188010 |
0.6833 | Remote Similarity | NPC45777 |
0.6833 | Remote Similarity | NPC477061 |
0.6829 | Remote Similarity | NPC474847 |
0.6827 | Remote Similarity | NPC141607 |
0.6827 | Remote Similarity | NPC187725 |
0.6822 | Remote Similarity | NPC472788 |
0.6822 | Remote Similarity | NPC253423 |
0.6818 | Remote Similarity | NPC68055 |
0.6818 | Remote Similarity | NPC66518 |
0.6807 | Remote Similarity | NPC470546 |
0.6807 | Remote Similarity | NPC229353 |
0.6804 | Remote Similarity | NPC170484 |
0.68 | Remote Similarity | NPC111428 |
0.6794 | Remote Similarity | NPC326860 |
0.6794 | Remote Similarity | NPC197239 |
0.6792 | Remote Similarity | NPC58674 |
0.6789 | Remote Similarity | NPC52472 |
0.6789 | Remote Similarity | NPC214200 |
0.6789 | Remote Similarity | NPC136810 |
0.6789 | Remote Similarity | NPC128248 |
0.6789 | Remote Similarity | NPC133809 |
0.6789 | Remote Similarity | NPC264728 |
0.6789 | Remote Similarity | NPC228400 |
0.6789 | Remote Similarity | NPC225079 |
0.6789 | Remote Similarity | NPC94487 |
0.678 | Remote Similarity | NPC470544 |
0.6774 | Remote Similarity | NPC208302 |
0.6774 | Remote Similarity | NPC74458 |
0.6772 | Remote Similarity | NPC45191 |
0.6772 | Remote Similarity | NPC246913 |
0.6768 | Remote Similarity | NPC103387 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC293628 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 | NPD9566 | Approved |
0.9053 | High Similarity | NPD253 | Approved |
0.8411 | Intermediate Similarity | NPD1348 | Approved |
0.8333 | Intermediate Similarity | NPD9568 | Approved |
0.8318 | Intermediate Similarity | NPD747 | Discontinued |
0.8155 | Intermediate Similarity | NPD1040 | Phase 2 |
0.8132 | Intermediate Similarity | NPD226 | Approved |
0.8113 | Intermediate Similarity | NPD3643 | Approved |
0.8113 | Intermediate Similarity | NPD3642 | Approved |
0.8113 | Intermediate Similarity | NPD189 | Phase 3 |
0.8113 | Intermediate Similarity | NPD3644 | Approved |
0.8113 | Intermediate Similarity | NPD188 | Approved |
0.8108 | Intermediate Similarity | NPD4504 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD5162 | Approved |
0.7965 | Intermediate Similarity | NPD3881 | Discontinued |
0.7957 | Intermediate Similarity | NPD9491 | Approved |
0.7857 | Intermediate Similarity | NPD2217 | Approved |
0.7857 | Intermediate Similarity | NPD2218 | Phase 2 |
0.7826 | Intermediate Similarity | NPD3880 | Clinical (unspecified phase) |
0.7802 | Intermediate Similarity | NPD225 | Approved |
0.7802 | Intermediate Similarity | NPD227 | Approved |
0.7778 | Intermediate Similarity | NPD1812 | Approved |
0.7778 | Intermediate Similarity | NPD1814 | Approved |
0.7748 | Intermediate Similarity | NPD255 | Approved |
0.7748 | Intermediate Similarity | NPD256 | Approved |
0.7739 | Intermediate Similarity | NPD4761 | Approved |
0.7739 | Intermediate Similarity | NPD4762 | Approved |
0.7739 | Intermediate Similarity | NPD4706 | Clinical (unspecified phase) |
0.7727 | Intermediate Similarity | NPD1374 | Approved |
0.7727 | Intermediate Similarity | NPD1371 | Approved |
0.7727 | Intermediate Similarity | NPD1370 | Approved |
0.7727 | Intermediate Similarity | NPD1373 | Approved |
0.7706 | Intermediate Similarity | NPD9508 | Approved |
0.7692 | Intermediate Similarity | NPD196 | Phase 1 |
0.7672 | Intermediate Similarity | NPD3073 | Approved |
0.7672 | Intermediate Similarity | NPD3071 | Approved |
0.7672 | Intermediate Similarity | NPD3072 | Approved |
0.7652 | Intermediate Similarity | NPD2956 | Clinical (unspecified phase) |
0.7629 | Intermediate Similarity | NPD4793 | Discontinued |
0.7607 | Intermediate Similarity | NPD4677 | Discontinued |
0.7607 | Intermediate Similarity | NPD182 | Clinical (unspecified phase) |
0.7573 | Intermediate Similarity | NPD9609 | Approved |
0.7573 | Intermediate Similarity | NPD9612 | Approved |
0.7573 | Intermediate Similarity | NPD9611 | Approved |
0.7527 | Intermediate Similarity | NPD9490 | Approved |
0.75 | Intermediate Similarity | NPD9569 | Approved |
0.75 | Intermediate Similarity | NPD7828 | Discontinued |
0.7475 | Intermediate Similarity | NPD800 | Approved |
0.7475 | Intermediate Similarity | NPD5346 | Phase 2 |
0.7475 | Intermediate Similarity | NPD5347 | Phase 2 |
0.7431 | Intermediate Similarity | NPD476 | Approved |
0.7417 | Intermediate Similarity | NPD4151 | Approved |
0.74 | Intermediate Similarity | NPD1090 | Approved |
0.74 | Intermediate Similarity | NPD1086 | Approved |
0.74 | Intermediate Similarity | NPD1089 | Approved |
0.7377 | Intermediate Similarity | NPD1070 | Approved |
0.7377 | Intermediate Similarity | NPD1069 | Approved |
0.7363 | Intermediate Similarity | NPD9593 | Approved |
0.7363 | Intermediate Similarity | NPD9589 | Approved |
0.7363 | Intermediate Similarity | NPD9592 | Approved |
0.7363 | Intermediate Similarity | NPD9588 | Approved |
0.7363 | Intermediate Similarity | NPD9594 | Approved |
0.7363 | Intermediate Similarity | NPD80 | Approved |
0.7363 | Intermediate Similarity | NPD9591 | Approved |
0.7363 | Intermediate Similarity | NPD9590 | Approved |
0.7355 | Intermediate Similarity | NPD3040 | Approved |
0.7355 | Intermediate Similarity | NPD4177 | Approved |
0.7355 | Intermediate Similarity | NPD4175 | Approved |
0.7353 | Intermediate Similarity | NPD1066 | Discontinued |
0.7333 | Intermediate Similarity | NPD6302 | Clinical (unspecified phase) |
0.7327 | Intermediate Similarity | NPD1239 | Approved |
0.7317 | Intermediate Similarity | NPD5581 | Approved |
0.7315 | Intermediate Similarity | NPD999 | Phase 2 |
0.7295 | Intermediate Similarity | NPD4676 | Approved |
0.7295 | Intermediate Similarity | NPD5263 | Approved |
0.7258 | Intermediate Similarity | NPD259 | Phase 1 |
0.7255 | Intermediate Similarity | NPD1088 | Approved |
0.725 | Intermediate Similarity | NPD5367 | Discontinued |
0.7241 | Intermediate Similarity | NPD6093 | Discontinued |
0.7236 | Intermediate Similarity | NPD9718 | Approved |
0.7236 | Intermediate Similarity | NPD9536 | Phase 1 |
0.7236 | Intermediate Similarity | NPD9537 | Phase 1 |
0.7222 | Intermediate Similarity | NPD315 | Approved |
0.7222 | Intermediate Similarity | NPD309 | Approved |
0.7222 | Intermediate Similarity | NPD314 | Approved |
0.7222 | Intermediate Similarity | NPD310 | Approved |
0.7222 | Intermediate Similarity | NPD311 | Approved |
0.7222 | Intermediate Similarity | NPD10 | Approved |
0.719 | Intermediate Similarity | NPD3606 | Clinical (unspecified phase) |
0.7184 | Intermediate Similarity | NPD3719 | Approved |
0.7184 | Intermediate Similarity | NPD5122 | Clinical (unspecified phase) |
0.7184 | Intermediate Similarity | NPD3718 | Approved |
0.7179 | Intermediate Similarity | NPD5981 | Approved |
0.7168 | Intermediate Similarity | NPD181 | Approved |
0.7168 | Intermediate Similarity | NPD2607 | Approved |
0.7143 | Intermediate Similarity | NPD555 | Phase 2 |
0.7115 | Intermediate Similarity | NPD688 | Clinical (unspecified phase) |
0.7115 | Intermediate Similarity | NPD1693 | Approved |
0.7105 | Intermediate Similarity | NPD3598 | Phase 3 |
0.71 | Intermediate Similarity | NPD1087 | Approved |
0.7097 | Intermediate Similarity | NPD3136 | Phase 2 |
0.7091 | Intermediate Similarity | NPD467 | Phase 1 |
0.7087 | Intermediate Similarity | NPD6690 | Approved |
0.7064 | Intermediate Similarity | NPD9610 | Approved |
0.7064 | Intermediate Similarity | NPD9608 | Approved |
0.7063 | Intermediate Similarity | NPD4153 | Approved |
0.7063 | Intermediate Similarity | NPD6623 | Phase 3 |
0.7063 | Intermediate Similarity | NPD5296 | Approved |
0.7053 | Intermediate Similarity | NPD9564 | Approved |
0.7053 | Intermediate Similarity | NPD296 | Approved |
0.7053 | Intermediate Similarity | NPD9563 | Approved |
0.7053 | Intermediate Similarity | NPD295 | Approved |
0.7053 | Intermediate Similarity | NPD293 | Approved |
0.7053 | Intermediate Similarity | NPD79 | Approved |
0.7048 | Intermediate Similarity | NPD5206 | Clinical (unspecified phase) |
0.704 | Intermediate Similarity | NPD5299 | Approved |
0.7031 | Intermediate Similarity | NPD1536 | Approved |
0.7031 | Intermediate Similarity | NPD6852 | Discontinued |
0.7031 | Intermediate Similarity | NPD6295 | Approved |
0.7031 | Intermediate Similarity | NPD6294 | Approved |
0.7009 | Intermediate Similarity | NPD1067 | Discontinued |
0.7009 | Intermediate Similarity | NPD9712 | Approved |
0.7 | Intermediate Similarity | NPD1018 | Approved |
0.6992 | Remote Similarity | NPD257 | Approved |
0.6992 | Remote Similarity | NPD258 | Approved |
0.6981 | Remote Similarity | NPD1099 | Approved |
0.6981 | Remote Similarity | NPD1566 | Phase 3 |
0.6981 | Remote Similarity | NPD1100 | Approved |
0.6981 | Remote Similarity | NPD1564 | Approved |
0.6981 | Remote Similarity | NPD1565 | Approved |
0.6977 | Remote Similarity | NPD6864 | Phase 2 |
0.6977 | Remote Similarity | NPD6865 | Phase 2 |
0.6957 | Remote Similarity | NPD2652 | Approved |
0.6957 | Remote Similarity | NPD2650 | Approved |
0.6953 | Remote Similarity | NPD3528 | Clinical (unspecified phase) |
0.6953 | Remote Similarity | NPD6073 | Approved |
0.6953 | Remote Similarity | NPD5725 | Approved |
0.6949 | Remote Similarity | NPD4479 | Discontinued |
0.6944 | Remote Similarity | NPD4760 | Clinical (unspecified phase) |
0.6942 | Remote Similarity | NPD2584 | Suspended |
0.6942 | Remote Similarity | NPD5108 | Clinical (unspecified phase) |
0.6929 | Remote Similarity | NPD5323 | Approved |
0.6923 | Remote Similarity | NPD1537 | Approved |
0.6923 | Remote Similarity | NPD9570 | Approved |
0.6923 | Remote Similarity | NPD1538 | Phase 1 |
0.6923 | Remote Similarity | NPD1519 | Approved |
0.6916 | Remote Similarity | NPD9711 | Approved |
0.6916 | Remote Similarity | NPD9710 | Approved |
0.6916 | Remote Similarity | NPD9495 | Approved |
0.6903 | Remote Similarity | NPD1756 | Approved |
0.6903 | Remote Similarity | NPD1752 | Approved |
0.6899 | Remote Similarity | NPD4126 | Approved |
0.6899 | Remote Similarity | NPD1520 | Approved |
0.6899 | Remote Similarity | NPD1521 | Approved |
0.6893 | Remote Similarity | NPD3673 | Approved |
0.6893 | Remote Similarity | NPD9256 | Approved |
0.6893 | Remote Similarity | NPD3672 | Approved |
0.6893 | Remote Similarity | NPD9258 | Approved |
0.688 | Remote Similarity | NPD6359 | Clinical (unspecified phase) |
0.688 | Remote Similarity | NPD4125 | Approved |
0.688 | Remote Similarity | NPD1974 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD1071 | Clinical (unspecified phase) |
0.6875 | Remote Similarity | NPD3908 | Approved |
0.6864 | Remote Similarity | NPD1758 | Phase 1 |
0.686 | Remote Similarity | NPD4216 | Approved |
0.686 | Remote Similarity | NPD3132 | Approved |
0.686 | Remote Similarity | NPD4218 | Approved |
0.686 | Remote Similarity | NPD2611 | Approved |
0.686 | Remote Similarity | NPD2612 | Approved |
0.686 | Remote Similarity | NPD2609 | Approved |
0.686 | Remote Similarity | NPD3131 | Approved |
0.686 | Remote Similarity | NPD4215 | Approved |
0.686 | Remote Similarity | NPD4217 | Approved |
0.686 | Remote Similarity | NPD2608 | Approved |
0.686 | Remote Similarity | NPD2610 | Approved |
0.6855 | Remote Similarity | NPD5339 | Clinical (unspecified phase) |
0.6855 | Remote Similarity | NPD3608 | Clinical (unspecified phase) |
0.6852 | Remote Similarity | NPD2066 | Phase 3 |
0.6852 | Remote Similarity | NPD3097 | Clinical (unspecified phase) |
0.6838 | Remote Similarity | NPD7508 | Discontinued |
0.6829 | Remote Similarity | NPD2198 | Approved |
0.6829 | Remote Similarity | NPD2199 | Approved |
0.6825 | Remote Similarity | NPD4794 | Discontinued |
0.6825 | Remote Similarity | NPD4738 | Phase 2 |
0.6825 | Remote Similarity | NPD6919 | Clinical (unspecified phase) |
0.6822 | Remote Similarity | NPD528 | Clinical (unspecified phase) |
0.6818 | Remote Similarity | NPD168 | Phase 1 |
0.6818 | Remote Similarity | NPD167 | Phase 2 |
0.681 | Remote Similarity | NPD1681 | Approved |
0.681 | Remote Similarity | NPD1680 | Approved |
0.681 | Remote Similarity | NPD1682 | Approved |
0.6807 | Remote Similarity | NPD1759 | Phase 1 |
0.6803 | Remote Similarity | NPD1360 | Approved |
0.6803 | Remote Similarity | NPD1077 | Clinical (unspecified phase) |
0.68 | Remote Similarity | NPD5759 | Approved |
0.6794 | Remote Similarity | NPD1522 | Approved |
0.6794 | Remote Similarity | NPD1523 | Approved |
0.678 | Remote Similarity | NPD732 | Approved |
0.678 | Remote Similarity | NPD733 | Approved |
0.6774 | Remote Similarity | NPD292 | 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.