Molecular Weight:   | 564.15 |
Volume:   | 517.441 |
LogP:   | -0.065 |
LogD:   | -0.353 |
LogS:   | -2.623 |
# Rotatable Bonds:   | 4 |
TPSA:   | 250.97 |
# H-Bond Aceptor:   | 14 |
# H-Bond Donor:   | 10 |
# Rings:   | 5 |
# Heavy Atoms:   | 14 |
QED Drug-Likeness Score:   | 0.169 |
Synthetic Accessibility Score:   | 4.767 |
Fsp3:   | 0.423 |
Lipinski Rule-of-5:   | Rejected |
Pfizer Rule:   | Accepted |
GSK Rule:   | Rejected |
BMS Rule:   | 1 |
Golden Triangle Rule:   | Rejected |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -6.37 |
MDCK Permeability:   | 7.419533176289406e-06 |
Pgp-inhibitor:   | 0.014 |
Pgp-substrate:   | 0.998 |
Human Intestinal Absorption (HIA):   | 0.96 |
20% Bioavailability (F20%):   | 0.644 |
30% Bioavailability (F30%):   | 1.0 |
Blood-Brain-Barrier Penetration (BBB):   | 0.077 |
Plasma Protein Binding (PPB):   | 77.64045715332031% |
Volume Distribution (VD):   | 0.753 |
Pgp-substrate:   | 19.92898941040039% |
CYP1A2-inhibitor:   | 0.022 |
CYP1A2-substrate:   | 0.02 |
CYP2C19-inhibitor:   | 0.013 |
CYP2C19-substrate:   | 0.055 |
CYP2C9-inhibitor:   | 0.002 |
CYP2C9-substrate:   | 0.285 |
CYP2D6-inhibitor:   | 0.004 |
CYP2D6-substrate:   | 0.112 |
CYP3A4-inhibitor:   | 0.007 |
CYP3A4-substrate:   | 0.002 |
Clearance (CL):   | 1.263 |
Half-life (T1/2):   | 0.557 |
hERG Blockers:   | 0.236 |
Human Hepatotoxicity (H-HT):   | 0.232 |
Drug-inuced Liver Injury (DILI):   | 0.981 |
AMES Toxicity:   | 0.812 |
Rat Oral Acute Toxicity:   | 0.044 |
Maximum Recommended Daily Dose:   | 0.01 |
Skin Sensitization:   | 0.428 |
Carcinogencity:   | 0.068 |
Eye Corrosion:   | 0.003 |
Eye Irritation:   | 0.012 |
Respiratory Toxicity:   | 0.029 |
Natural Product ID:   | NPC109594 |
Common Name*:   | Isoschaftoside |
IUPAC Name:   | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one |
Synonyms:   | |
Standard InCHIKey:   | OVMFOVNOXASTPA-VYUBKLCTSA-N |
Standard InCHI:   | InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)16-20(34)15(25-22(36)17(31)11(30)7-38-25)19(33)14-10(29)5-12(39-24(14)16)8-1-3-9(28)4-2-8/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13+,17-,18+,21-,22+,23+,25-,26-/m0/s1 |
SMILES:   | OC[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)c1c(O)c([C@@H]2OC[C@@H]([C@@H]([C@H]2O)O)O)c(c2c1oc(cc2=O)c1ccc(cc1)O)O |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL2437365 |
PubChem CID:   |
3084995 |
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 |
---|---|---|---|---|---|---|---|---|
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | stem | n.a. | DOI[10.1007/s11418-006-0112-9] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | flower | n.a. | DOI[10.1007/s11418-006-0112-9] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | leaf | n.a. | DOI[10.1007/s11418-006-0112-9] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | root | n.a. |
PMID[11374966] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | Leaves | n.a. | n.a. |
PMID[12713396] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[12828478] |
NPO2108 | Pentagonia gigantifolia | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[12932143] |
NPO2280 | Streptomyces griseochromogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[12964155] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | roots | Rat Buri Province, Thailand | 1988-DEC |
PMID[14987064] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | root | n.a. |
PMID[15520511] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[15620254] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16038550] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | n.a. | root | n.a. |
PMID[16204992] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | seeds | n.a. | n.a. |
PMID[1624939] |
NPO11789 | Swertia decussata | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16286309] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[16309325] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | root | n.a. |
PMID[16441081] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | Seoul, Korea | 2000-Jun |
PMID[16643034] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[16675659] |
NPO8524 | Pithecellobium clypearia | Species | Fabaceae | Eukaryota | n.a. | leaf | n.a. |
PMID[16724853] |
NPO8524 | Pithecellobium clypearia | Species | Fabaceae | Eukaryota | leaves | n.a. | n.a. |
PMID[16724853] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17027268] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[17583950] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruit | n.a. | n.a. |
PMID[18505286] |
NPO733 | Pseudoceratina arabica | Species | Pseudoceratinidae | Eukaryota | n.a. | Red Sea | n.a. |
PMID[18598078] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18855446] |
NPO2280 | Streptomyces griseochromogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[19191560] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruit | n.a. | n.a. |
PMID[19650637] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[19715321] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[19919095] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | Seeds | n.a. | n.a. |
PMID[19931461] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | roots | n.a. | n.a. |
PMID[20022509] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20455578] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20476749] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21123068] |
NPO16660 | Phomopsis archeri | Species | Valsaceae | Eukaryota | n.a. | mycelium | n.a. |
PMID[21341709] |
NPO12644 | Lunularia cruciata | Species | Lunulariaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21625478] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21775156] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[21866899] |
NPO5681 | Acorus gramineus | Species | Acoraceae | Eukaryota | Rhizomes | n.a. | n.a. |
PMID[21936523] |
NPO5681 | Acorus gramineus | Species | Acoraceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[21936523] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22074222] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | root | n.a. |
PMID[22074222] |
NPO5681 | Acorus gramineus | Species | Acoraceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[22951040] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | flower buds and leaves | Khon Kaen province, Thailand | 2010 |
PMID[23270663] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23286284] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | fruits | n.a. | n.a. |
PMID[23305920] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23325115] |
NPO2280 | Streptomyces griseochromogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. |
PMID[23377931] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[23403897] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | Roots | n.a. | n.a. |
PMID[23541646] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Leaves | n.a. | n.a. |
PMID[23642481] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[23713285] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | rhizome | n.a. |
PMID[23867078] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | root | n.a. |
PMID[23867078] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24108414] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[24479468] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | roots | n.a. | n.a. |
PMID[24957203] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25445757] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25590529] |
NPO3292 | Desmodium styracifolium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25620156] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[25744461] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | rhizomes | n.a. | n.a. |
PMID[26296476] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26305406] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Flowers | n.a. | n.a. |
PMID[26462418] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26562741] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[26841168] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27569393] |
NPO4734 | Syzygium nervosum | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[27797185] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28140583] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[28522265] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | Rhizomes | n.a. | n.a. |
PMID[29116780] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29185738] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29517238] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[29641206] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[30351923] |
NPO12644 | Lunularia cruciata | Species | Lunulariaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[30848895] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[31625751] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32141747] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[32196343] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | Along the Valencian coast, Spain | 2020-Jun&Jul |
PMID[35161358] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | root | n.a. |
PMID[3655791] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[6387056] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[7381508] |
NPO28204 | Arisaema amurense | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[8882436] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | roots | n.a. | n.a. |
PMID[9834151] |
NPO2733 | Sarcomelicope argyrophylla | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[Article] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | Herb | n.a. | n.a. | Database[FooDB] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | Rhizome | n.a. | n.a. | Database[FooDB] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO23847 | Lysimachia christinae | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO24178 | Citrus rugulosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO87 | Alchornea trewioides | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17706 | Caragana tibetica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15460 | Caulerpa sertularioides | Species | Caulerpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26606 | Macadamia ternifolia | Species | Proteaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO5681 | Acorus gramineus | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO13856 | Bergenia purpurascens | Species | Saxifragaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO17637 | Pimpinella saxifraga | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO16620 | Malus asiatica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7001 | Berberis floribunda | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO3292 | Desmodium styracifolium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO10436 | Aristolochia maxima | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17706 | Caragana tibetica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO23847 | Lysimachia christinae | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7319 | Jamesoniella colorata | Species | Jungermanniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15460 | Caulerpa sertularioides | Species | Caulerpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5681 | Acorus gramineus | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17637 | Pimpinella saxifraga | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24715 | Arisaema heterophyllum | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO13856 | Bergenia purpurascens | Species | Saxifragaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO28204 | Arisaema amurense | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO8701 | Bonamia spectabilis | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7001 | Berberis floribunda | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26606 | Macadamia ternifolia | Species | Proteaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO24178 | Citrus rugulosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO87 | Alchornea trewioides | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO17244 | Montrouziera sphaeroidea | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO9452 | Pulsatilla campanella | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10436 | Aristolochia maxima | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3292 | Desmodium styracifolium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO3292 | Desmodium styracifolium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO23847 | Lysimachia christinae | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4640 | Portulaca oleracea | Species | Portulacaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO24715 | Arisaema heterophyllum | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO3292 | Desmodium styracifolium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO28204 | Arisaema amurense | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5621 | Arisaema erubescens | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO5681 | Acorus gramineus | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO23847 | Lysimachia christinae | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO4734 | Syzygium nervosum | Species | Myrtaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17945 | Arachniodes dimorphophylla | Species | Dryopteridaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15079 | Polygala myrtifolia | Species | Polygalaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1240 | Tanacetum albipannosum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13422 | Amoora yunnanensis | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11534 | Astragalus spinosus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12733 | Pentapora fascialis | Species | Bitectiporidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7597 | Alchornea floribunda | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9009 | Atuna racemosa | Species | Chrysobalanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO24178 | Citrus rugulosa | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7154 | Glycyrrhiza uralensis | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18447 | Papaver tatricum | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8666 | Acorus tatarinowii | Species | Acoraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17100 | Artemisia vachanica | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2280 | Streptomyces griseochromogenes | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7949 | Pterodon emarginatus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5621 | Arisaema erubescens | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11925 | Mola mola | Species | Molidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13180 | Jasminum officinale | Species | Oleaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14698 | Phyllospongia madagascarensis | Species | Thorectidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO21802 | Julocroton camporum | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12284 | Hydrangea serrata | Species | Hydrangeaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO266 | Pterogorgia anceps | Species | Gorgoniidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18027 | Oreosolen wattii | Species | Scrophulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3478 | Nelumbo nucifera | Species | Nelumbonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11789 | Swertia decussata | Species | Gentianaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1698 | Glycyrrhiza inflata | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4945 | Laurencia implicata | Species | Rhodomelaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO87 | Alchornea trewioides | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3658 | Achillea pseudopectinata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7627 | Fumaria micrantha | Species | Papaveraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16510 | Ganoderma australe | Species | Ganodermataceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17355 | Bischofia trifoliata | Species | Phyllanthaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9523 | Nephroma antarcticum | Species | Nephromataceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17175 | Lasiocephalus ovatus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO22469 | Tropaeolum speciosum | Species | Tropaeolaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17029 | Tridacna gigas | Species | Tridacnidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28626 | Isodon rubescens | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15460 | Caulerpa sertularioides | Species | Caulerpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11223 | Pleurotus japonicus | Species | Pleurotaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11420 | Dolichospermum affine | Species | Aphanizomenonaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5634 | Wallago attu | Species | Siluridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15814 | Rhodiola krylovii | Species | Crassulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12559 | Mikania obtusata | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7144 | Rosa davurica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11910 | Peltogyne pubescens | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO28204 | Arisaema amurense | Species | Araceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17706 | Caragana tibetica | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3405 | Marine isolate | n.a. | n.a. | n.a. | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4910 | Lepidosperma ustulatum | Species | Cyperaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12644 | Lunularia cruciata | Species | Lunulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4560 | Helichrysum infaustum | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1148 | Phalium undulatum | Species | Cassidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5743 | Salvia miltiorrhiza | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10436 | Aristolochia maxima | Species | Aristolochiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23899 | Rosulabryum capillare | Species | Bryaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16620 | Malus asiatica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2565 | Aglaia australiensis | Species | Meliaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8524 | Pithecellobium clypearia | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17244 | Montrouziera sphaeroidea | Species | Clusiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO29384 | Glycyrrhiza glabra | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8050 | Stichopus hermanni | Species | Stichopodidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9226 | Astragalus pycnanthus | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15964 | Tropiometra afra | Species | Tropiometridae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26487 | Tinospora smilacina | Species | Menispermaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16374 | Crataegus sinaica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO733 | Pseudoceratina arabica | Species | Pseudoceratinidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9518 | Gardenia jasminoides | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14408 | Chrysolina fastuosa | Species | Chrysomelidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16253 | Rapanea myricoides | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO1688 | Barbus labeo | Species | Cyprinidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12169 | Ranunculus peltatus | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO14602 | Vitex negundo | Species | Lamiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26606 | Macadamia ternifolia | Species | Proteaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11559 | Betula mandshurica | Species | Betulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17790 | Trigonostemon reidioides | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11831 | Achillea collina | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7319 | Jamesoniella colorata | Species | Jungermanniaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9428 | Annona rensoniana | Species | Annonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2589 | Solanum bahamense | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6939 | Vatica diospyroides | Species | Dipterocarpaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7001 | Berberis floribunda | Species | Berberidaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18709 | Discaria crenata | Species | Rhamnaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO6572 | Dunalia solanacea | Species | Solanaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10546 | Allagopappus viscosissimus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17327 | Cotoneaster orbicularis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9452 | Pulsatilla campanella | Species | Ranunculaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8398 | Cymodocea nodosa | Species | Cymodoceaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15667 | Ligularia platyglossa | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO12864 | Trogoderma granarium | Species | Dermestidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8701 | Bonamia spectabilis | Species | Convolvulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2108 | Pentagonia gigantifolia | Species | Rubiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16660 | Phomopsis archeri | Species | Valsaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3311 | Diplacus longiflorus | Species | Phrymaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO11020 | Streptomyces purpeofuscus | Species | Streptomycetaceae | Bacteria | n.a. | n.a. | n.a. | Database[UNPD] |
NPO5256 | Lissoclinum vareau | Species | Didemnidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9640 | Dinophysis fortii | Species | Dinophysiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO26589 | Artemisia annua L. | Strain | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO23847 | Lysimachia christinae | Species | Primulaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO8006 | Berlinia tomentosa | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3552 | Sargassum spinuligerum | Species | Sargassaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10506 | Artemisia apiacea | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17739 | Macrotyloma axillare | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17870 | Euphorbia ferganensis | Species | Euphorbiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO2733 | Sarcomelicope argyrophylla | Species | Rutaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO17637 | Pimpinella saxifraga | Species | Apiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO13856 | Bergenia purpurascens | Species | Saxifragaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3292 | Desmodium styracifolium | Species | Fabaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15439 | Iyengaria stellata | Species | Scytosiphonaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO18962 | Actinobacillus pleuropneumoniae | Species | Pasteurellaceae | Bacteria | 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 |
---|---|---|---|---|---|---|---|---|
NPT178 | Individual Protein | Protein-tyrosine phosphatase 1B | Homo sapiens | Inhibition | < | 50.0 | % | PMID[524857] |
☑ 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 NPC109594 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 | NPC326592 |
1.0 | High Similarity | NPC112701 |
0.9863 | High Similarity | NPC209846 |
0.9863 | High Similarity | NPC328740 |
0.9863 | High Similarity | NPC289774 |
0.9863 | High Similarity | NPC477897 |
0.9796 | High Similarity | NPC150123 |
0.9796 | High Similarity | NPC161881 |
0.9796 | High Similarity | NPC10807 |
0.9796 | High Similarity | NPC56232 |
0.9796 | High Similarity | NPC244583 |
0.973 | High Similarity | NPC268193 |
0.9664 | High Similarity | NPC111341 |
0.9664 | High Similarity | NPC304745 |
0.9662 | High Similarity | NPC475790 |
0.966 | High Similarity | NPC124478 |
0.966 | High Similarity | NPC177308 |
0.9605 | High Similarity | NPC47923 |
0.9597 | High Similarity | NPC223701 |
0.9597 | High Similarity | NPC7989 |
0.9597 | High Similarity | NPC472583 |
0.9595 | High Similarity | NPC474021 |
0.9595 | High Similarity | NPC474023 |
0.9542 | High Similarity | NPC44947 |
0.9533 | High Similarity | NPC48579 |
0.9533 | High Similarity | NPC217706 |
0.9533 | High Similarity | NPC259710 |
0.9533 | High Similarity | NPC304207 |
0.9533 | High Similarity | NPC477958 |
0.9533 | High Similarity | NPC207809 |
0.9533 | High Similarity | NPC470681 |
0.9524 | High Similarity | NPC10097 |
0.9481 | High Similarity | NPC124155 |
0.9481 | High Similarity | NPC257566 |
0.9474 | High Similarity | NPC117418 |
0.9474 | High Similarity | NPC53545 |
0.9474 | High Similarity | NPC123544 |
0.9467 | High Similarity | NPC248793 |
0.9467 | High Similarity | NPC469405 |
0.9467 | High Similarity | NPC20907 |
0.9467 | High Similarity | NPC180301 |
0.9467 | High Similarity | NPC244250 |
0.9463 | High Similarity | NPC262039 |
0.9463 | High Similarity | NPC319910 |
0.9463 | High Similarity | NPC471677 |
0.9463 | High Similarity | NPC263384 |
0.9463 | High Similarity | NPC471676 |
0.9463 | High Similarity | NPC254412 |
0.9463 | High Similarity | NPC472422 |
0.9463 | High Similarity | NPC278476 |
0.9463 | High Similarity | NPC262038 |
0.9463 | High Similarity | NPC244577 |
0.9463 | High Similarity | NPC472420 |
0.9459 | High Similarity | NPC89442 |
0.9459 | High Similarity | NPC139966 |
0.9459 | High Similarity | NPC307052 |
0.9412 | High Similarity | NPC472320 |
0.9404 | High Similarity | NPC477530 |
0.94 | High Similarity | NPC217149 |
0.94 | High Similarity | NPC138288 |
0.94 | High Similarity | NPC35567 |
0.94 | High Similarity | NPC216035 |
0.94 | High Similarity | NPC171651 |
0.94 | High Similarity | NPC243171 |
0.9396 | High Similarity | NPC105136 |
0.9388 | High Similarity | NPC472629 |
0.9355 | High Similarity | NPC63438 |
0.9351 | High Similarity | NPC303913 |
0.9351 | High Similarity | NPC97812 |
0.9351 | High Similarity | NPC289771 |
0.9351 | High Similarity | NPC26326 |
0.9342 | High Similarity | NPC78492 |
0.9342 | High Similarity | NPC215917 |
0.9342 | High Similarity | NPC10754 |
0.9342 | High Similarity | NPC20530 |
0.9342 | High Similarity | NPC208152 |
0.9338 | High Similarity | NPC88983 |
0.9338 | High Similarity | NPC236756 |
0.9338 | High Similarity | NPC311579 |
0.9338 | High Similarity | NPC293286 |
0.9333 | High Similarity | NPC471675 |
0.9333 | High Similarity | NPC472636 |
0.9329 | High Similarity | NPC5173 |
0.9329 | High Similarity | NPC472628 |
0.9324 | High Similarity | NPC85773 |
0.9324 | High Similarity | NPC472627 |
0.9324 | High Similarity | NPC296998 |
0.9324 | High Similarity | NPC473077 |
0.932 | High Similarity | NPC224714 |
0.932 | High Similarity | NPC470890 |
0.932 | High Similarity | NPC87486 |
0.932 | High Similarity | NPC124780 |
0.929 | High Similarity | NPC259834 |
0.929 | High Similarity | NPC190450 |
0.929 | High Similarity | NPC131745 |
0.9286 | High Similarity | NPC471976 |
0.9286 | High Similarity | NPC475784 |
0.9281 | High Similarity | NPC475184 |
0.9281 | High Similarity | NPC156457 |
0.9281 | High Similarity | NPC197896 |
0.9281 | High Similarity | NPC44931 |
0.9281 | High Similarity | NPC313163 |
0.9281 | High Similarity | NPC161749 |
0.9281 | High Similarity | NPC129827 |
0.9281 | High Similarity | NPC258035 |
0.9281 | High Similarity | NPC65003 |
0.9281 | High Similarity | NPC473512 |
0.9276 | High Similarity | NPC97052 |
0.9276 | High Similarity | NPC182555 |
0.9276 | High Similarity | NPC134171 |
0.9276 | High Similarity | NPC169248 |
0.9276 | High Similarity | NPC72649 |
0.9276 | High Similarity | NPC39351 |
0.9276 | High Similarity | NPC66441 |
0.9276 | High Similarity | NPC26195 |
0.9276 | High Similarity | NPC300668 |
0.9276 | High Similarity | NPC476169 |
0.9272 | High Similarity | NPC473996 |
0.9272 | High Similarity | NPC31627 |
0.9272 | High Similarity | NPC174086 |
0.9272 | High Similarity | NPC327269 |
0.9272 | High Similarity | NPC285623 |
0.9272 | High Similarity | NPC476238 |
0.9267 | High Similarity | NPC472633 |
0.9262 | High Similarity | NPC161191 |
0.9257 | High Similarity | NPC176229 |
0.9257 | High Similarity | NPC54577 |
0.9257 | High Similarity | NPC67805 |
0.9257 | High Similarity | NPC88964 |
0.9257 | High Similarity | NPC470647 |
0.9257 | High Similarity | NPC475052 |
0.9257 | High Similarity | NPC111786 |
0.9257 | High Similarity | NPC267375 |
0.9257 | High Similarity | NPC20488 |
0.9257 | High Similarity | NPC195621 |
0.9257 | High Similarity | NPC246948 |
0.9257 | High Similarity | NPC301276 |
0.9257 | High Similarity | NPC214774 |
0.9257 | High Similarity | NPC474302 |
0.9257 | High Similarity | NPC312973 |
0.9257 | High Similarity | NPC142405 |
0.9257 | High Similarity | NPC83357 |
0.9241 | High Similarity | NPC5319 |
0.9231 | High Similarity | NPC278419 |
0.9231 | High Similarity | NPC66087 |
0.9231 | High Similarity | NPC179198 |
0.9231 | High Similarity | NPC183672 |
0.9226 | High Similarity | NPC474038 |
0.9226 | High Similarity | NPC472632 |
0.9226 | High Similarity | NPC3629 |
0.9226 | High Similarity | NPC142252 |
0.9221 | High Similarity | NPC473634 |
0.9221 | High Similarity | NPC308265 |
0.9221 | High Similarity | NPC22062 |
0.9221 | High Similarity | NPC473990 |
0.9221 | High Similarity | NPC73511 |
0.9221 | High Similarity | NPC138811 |
0.9216 | High Similarity | NPC32867 |
0.9216 | High Similarity | NPC471787 |
0.9216 | High Similarity | NPC170475 |
0.9216 | High Similarity | NPC146636 |
0.9216 | High Similarity | NPC69531 |
0.9216 | High Similarity | NPC206378 |
0.9211 | High Similarity | NPC29763 |
0.9211 | High Similarity | NPC143851 |
0.9211 | High Similarity | NPC83283 |
0.9211 | High Similarity | NPC210003 |
0.9211 | High Similarity | NPC39360 |
0.9205 | High Similarity | NPC472580 |
0.9205 | High Similarity | NPC474772 |
0.9205 | High Similarity | NPC474744 |
0.9205 | High Similarity | NPC472423 |
0.92 | High Similarity | NPC473016 |
0.9195 | High Similarity | NPC470670 |
0.9195 | High Similarity | NPC222298 |
0.9195 | High Similarity | NPC51070 |
0.9195 | High Similarity | NPC23728 |
0.9195 | High Similarity | NPC176869 |
0.9195 | High Similarity | NPC40086 |
0.9195 | High Similarity | NPC122828 |
0.9195 | High Similarity | NPC211466 |
0.9195 | High Similarity | NPC110303 |
0.9195 | High Similarity | NPC3779 |
0.9195 | High Similarity | NPC476182 |
0.9195 | High Similarity | NPC91902 |
0.9195 | High Similarity | NPC473133 |
0.9195 | High Similarity | NPC47388 |
0.9195 | High Similarity | NPC283234 |
0.9195 | High Similarity | NPC44721 |
0.9189 | High Similarity | NPC470136 |
0.9189 | High Similarity | NPC208176 |
0.9189 | High Similarity | NPC326506 |
0.9189 | High Similarity | NPC142731 |
0.9189 | High Similarity | NPC279417 |
0.9189 | High Similarity | NPC306607 |
0.9189 | High Similarity | NPC470135 |
0.9189 | High Similarity | NPC62290 |
0.9189 | High Similarity | NPC39045 |
0.9189 | High Similarity | NPC49130 |
0.9189 | High Similarity | NPC4152 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC109594 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 |
---|---|---|---|
0.966 | High Similarity | NPD4380 | Phase 2 |
0.9281 | High Similarity | NPD4381 | Clinical (unspecified phase) |
0.9241 | High Similarity | NPD7804 | Clinical (unspecified phase) |
0.9085 | High Similarity | NPD2393 | Clinical (unspecified phase) |
0.906 | High Similarity | NPD4378 | Clinical (unspecified phase) |
0.9051 | High Similarity | NPD6166 | Phase 2 |
0.9051 | High Similarity | NPD6167 | Clinical (unspecified phase) |
0.9051 | High Similarity | NPD6168 | Clinical (unspecified phase) |
0.9032 | High Similarity | NPD7075 | Discontinued |
0.8973 | High Similarity | NPD1552 | Clinical (unspecified phase) |
0.8973 | High Similarity | NPD1550 | Clinical (unspecified phase) |
0.8912 | High Similarity | NPD1549 | Phase 2 |
0.8903 | High Similarity | NPD8443 | Clinical (unspecified phase) |
0.8896 | High Similarity | NPD1934 | Approved |
0.8896 | High Similarity | NPD6801 | Discontinued |
0.8882 | High Similarity | NPD7054 | Approved |
0.8839 | High Similarity | NPD7096 | Clinical (unspecified phase) |
0.8827 | High Similarity | NPD7472 | Approved |
0.8827 | High Similarity | NPD7074 | Phase 3 |
0.8808 | High Similarity | NPD7410 | Clinical (unspecified phase) |
0.8773 | High Similarity | NPD6797 | Phase 2 |
0.8742 | High Similarity | NPD6959 | Discontinued |
0.872 | High Similarity | NPD7251 | Discontinued |
0.871 | High Similarity | NPD7411 | Suspended |
0.8707 | High Similarity | NPD1510 | Phase 2 |
0.8667 | High Similarity | NPD7808 | Phase 3 |
0.8649 | High Similarity | NPD2796 | Approved |
0.8618 | High Similarity | NPD1511 | Approved |
0.8599 | High Similarity | NPD2801 | Approved |
0.8589 | High Similarity | NPD3818 | Discontinued |
0.8571 | High Similarity | NPD5403 | Approved |
0.8506 | High Similarity | NPD1512 | Approved |
0.8491 | Intermediate Similarity | NPD4868 | Clinical (unspecified phase) |
0.8481 | Intermediate Similarity | NPD7819 | Suspended |
0.8466 | Intermediate Similarity | NPD7852 | Clinical (unspecified phase) |
0.8447 | Intermediate Similarity | NPD5494 | Approved |
0.8443 | Intermediate Similarity | NPD4338 | Clinical (unspecified phase) |
0.8442 | Intermediate Similarity | NPD5401 | Approved |
0.8428 | Intermediate Similarity | NPD3817 | Phase 2 |
0.8428 | Intermediate Similarity | NPD5402 | Approved |
0.8383 | Intermediate Similarity | NPD6559 | Discontinued |
0.8377 | Intermediate Similarity | NPD6799 | Approved |
0.8323 | Intermediate Similarity | NPD7993 | Clinical (unspecified phase) |
0.8311 | Intermediate Similarity | NPD1240 | Approved |
0.8261 | Intermediate Similarity | NPD3882 | Suspended |
0.82 | Intermediate Similarity | NPD1607 | Approved |
0.8182 | Intermediate Similarity | NPD3750 | Approved |
0.8176 | Intermediate Similarity | NPD6599 | Discontinued |
0.8148 | Intermediate Similarity | NPD7768 | Phase 2 |
0.8095 | Intermediate Similarity | NPD5844 | Phase 1 |
0.8012 | Intermediate Similarity | NPD6232 | Discontinued |
0.8 | Intermediate Similarity | NPD7421 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD2800 | Approved |
0.7988 | Intermediate Similarity | NPD3749 | Approved |
0.7976 | Intermediate Similarity | NPD7473 | Discontinued |
0.7965 | Intermediate Similarity | NPD8313 | Approved |
0.7965 | Intermediate Similarity | NPD8312 | Approved |
0.7949 | Intermediate Similarity | NPD4628 | Phase 3 |
0.7922 | Intermediate Similarity | NPD1551 | Phase 2 |
0.7914 | Intermediate Similarity | NPD8455 | Phase 2 |
0.7914 | Intermediate Similarity | NPD1465 | Phase 2 |
0.7907 | Intermediate Similarity | NPD4419 | Clinical (unspecified phase) |
0.7877 | Intermediate Similarity | NPD8090 | Clinical (unspecified phase) |
0.7875 | Intermediate Similarity | NPD920 | Approved |
0.7865 | Intermediate Similarity | NPD4360 | Phase 2 |
0.7865 | Intermediate Similarity | NPD4363 | Phase 3 |
0.7862 | Intermediate Similarity | NPD642 | Clinical (unspecified phase) |
0.7857 | Intermediate Similarity | NPD3748 | Approved |
0.7853 | Intermediate Similarity | NPD7879 | Clinical (unspecified phase) |
0.7848 | Intermediate Similarity | NPD643 | Clinical (unspecified phase) |
0.7843 | Intermediate Similarity | NPD6651 | Approved |
0.7829 | Intermediate Similarity | NPD1613 | Approved |
0.7829 | Intermediate Similarity | NPD1612 | Clinical (unspecified phase) |
0.7821 | Intermediate Similarity | NPD970 | Clinical (unspecified phase) |
0.7815 | Intermediate Similarity | NPD2313 | Discontinued |
0.7815 | Intermediate Similarity | NPD6859 | Clinical (unspecified phase) |
0.7815 | Intermediate Similarity | NPD4907 | Clinical (unspecified phase) |
0.7806 | Intermediate Similarity | NPD2935 | Discontinued |
0.7791 | Intermediate Similarity | NPD5953 | Discontinued |
0.7784 | Intermediate Similarity | NPD7584 | Approved |
0.7771 | Intermediate Similarity | NPD1243 | Approved |
0.775 | Intermediate Similarity | NPD2534 | Approved |
0.775 | Intermediate Similarity | NPD2532 | Approved |
0.775 | Intermediate Similarity | NPD2533 | Approved |
0.7722 | Intermediate Similarity | NPD1878 | Clinical (unspecified phase) |
0.7719 | Intermediate Similarity | NPD3751 | Discontinued |
0.7692 | Intermediate Similarity | NPD3787 | Discontinued |
0.7688 | Intermediate Similarity | NPD7390 | Discontinued |
0.7687 | Intermediate Similarity | NPD1547 | Clinical (unspecified phase) |
0.7682 | Intermediate Similarity | NPD4908 | Phase 1 |
0.7674 | Intermediate Similarity | NPD7286 | Phase 2 |
0.7662 | Intermediate Similarity | NPD5124 | Phase 1 |
0.7662 | Intermediate Similarity | NPD5123 | Clinical (unspecified phase) |
0.7633 | Intermediate Similarity | NPD1247 | Approved |
0.7628 | Intermediate Similarity | NPD2799 | Discontinued |
0.7628 | Intermediate Similarity | NPD7033 | Discontinued |
0.7619 | Intermediate Similarity | NPD919 | Approved |
0.7597 | Intermediate Similarity | NPD943 | Approved |
0.7568 | Intermediate Similarity | NPD1610 | Phase 2 |
0.7566 | Intermediate Similarity | NPD1529 | Clinical (unspecified phase) |
0.7561 | Intermediate Similarity | NPD3226 | Approved |
0.7554 | Intermediate Similarity | NPD6781 | Approved |
0.7554 | Intermediate Similarity | NPD6780 | Approved |
0.7554 | Intermediate Similarity | NPD6777 | Approved |
0.7554 | Intermediate Similarity | NPD6776 | Approved |
0.7554 | Intermediate Similarity | NPD6779 | Approved |
0.7554 | Intermediate Similarity | NPD6778 | Approved |
0.7554 | Intermediate Similarity | NPD6782 | Approved |
0.7534 | Intermediate Similarity | NPD1548 | Phase 1 |
0.7532 | Intermediate Similarity | NPD2344 | Approved |
0.7531 | Intermediate Similarity | NPD7004 | Clinical (unspecified phase) |
0.7513 | Intermediate Similarity | NPD8151 | Discontinued |
0.75 | Intermediate Similarity | NPD1530 | Clinical (unspecified phase) |
0.7484 | Intermediate Similarity | NPD2424 | Discontinued |
0.7483 | Intermediate Similarity | NPD1203 | Approved |
0.747 | Intermediate Similarity | NPD7615 | Clinical (unspecified phase) |
0.7468 | Intermediate Similarity | NPD6099 | Approved |
0.7468 | Intermediate Similarity | NPD6100 | Approved |
0.7455 | Intermediate Similarity | NPD5808 | Clinical (unspecified phase) |
0.7455 | Intermediate Similarity | NPD7458 | Discontinued |
0.7451 | Intermediate Similarity | NPD6832 | Phase 2 |
0.7444 | Intermediate Similarity | NPD8397 | Clinical (unspecified phase) |
0.7442 | Intermediate Similarity | NPD3926 | Phase 2 |
0.7438 | Intermediate Similarity | NPD1652 | Phase 2 |
0.7435 | Intermediate Similarity | NPD7782 | Clinical (unspecified phase) |
0.7435 | Intermediate Similarity | NPD7783 | Phase 2 |
0.7433 | Intermediate Similarity | NPD7435 | Discontinued |
0.7433 | Intermediate Similarity | NPD7698 | Approved |
0.7433 | Intermediate Similarity | NPD7696 | Phase 3 |
0.7433 | Intermediate Similarity | NPD7697 | Approved |
0.7432 | Intermediate Similarity | NPD4362 | Clinical (unspecified phase) |
0.7432 | Intermediate Similarity | NPD4361 | Phase 2 |
0.743 | Intermediate Similarity | NPD8150 | Discontinued |
0.7421 | Intermediate Similarity | NPD2346 | Discontinued |
0.7414 | Intermediate Similarity | NPD7228 | Approved |
0.7405 | Intermediate Similarity | NPD1509 | Clinical (unspecified phase) |
0.7403 | Intermediate Similarity | NPD3027 | Phase 3 |
0.7394 | Intermediate Similarity | NPD1653 | Approved |
0.7368 | Intermediate Similarity | NPD7585 | Approved |
0.7368 | Intermediate Similarity | NPD7701 | Phase 2 |
0.7366 | Intermediate Similarity | NPD7501 | Clinical (unspecified phase) |
0.7355 | Intermediate Similarity | NPD3268 | Approved |
0.7355 | Intermediate Similarity | NPD6798 | Discontinued |
0.7346 | Intermediate Similarity | NPD2309 | Approved |
0.7333 | Intermediate Similarity | NPD6980 | Clinical (unspecified phase) |
0.7333 | Intermediate Similarity | NPD8434 | Phase 2 |
0.7326 | Intermediate Similarity | NPD7199 | Phase 2 |
0.7321 | Intermediate Similarity | NPD6844 | Discontinued |
0.732 | Intermediate Similarity | NPD2798 | Approved |
0.7316 | Intermediate Similarity | NPD7583 | Approved |
0.7303 | Intermediate Similarity | NPD3225 | Approved |
0.7302 | Intermediate Similarity | NPD7871 | Phase 2 |
0.7302 | Intermediate Similarity | NPD7870 | Phase 2 |
0.7299 | Intermediate Similarity | NPD7784 | Clinical (unspecified phase) |
0.7288 | Intermediate Similarity | NPD3823 | Discontinued |
0.7287 | Intermediate Similarity | NPD6823 | Phase 2 |
0.7284 | Intermediate Similarity | NPD6398 | Clinical (unspecified phase) |
0.7283 | Intermediate Similarity | NPD6534 | Approved |
0.7283 | Intermediate Similarity | NPD5710 | Approved |
0.7283 | Intermediate Similarity | NPD6535 | Approved |
0.7283 | Intermediate Similarity | NPD5711 | Approved |
0.7258 | Intermediate Similarity | NPD7699 | Phase 2 |
0.7258 | Intermediate Similarity | NPD7700 | Phase 2 |
0.7255 | Intermediate Similarity | NPD2797 | Approved |
0.7239 | Intermediate Similarity | NPD6190 | Approved |
0.7235 | Intermediate Similarity | NPD4288 | Approved |
0.7219 | Intermediate Similarity | NPD422 | Phase 1 |
0.7219 | Intermediate Similarity | NPD37 | Approved |
0.7215 | Intermediate Similarity | NPD6355 | Discontinued |
0.7215 | Intermediate Similarity | NPD1933 | Approved |
0.7215 | Intermediate Similarity | NPD230 | Phase 1 |
0.7212 | Intermediate Similarity | NPD4662 | Approved |
0.7212 | Intermediate Similarity | NPD4661 | Approved |
0.7209 | Intermediate Similarity | NPD6234 | Discontinued |
0.7202 | Intermediate Similarity | NPD7875 | Clinical (unspecified phase) |
0.7202 | Intermediate Similarity | NPD7874 | Approved |
0.7197 | Intermediate Similarity | NPD6233 | Phase 2 |
0.7193 | Intermediate Similarity | NPD4966 | Approved |
0.7193 | Intermediate Similarity | NPD4965 | Approved |
0.7193 | Intermediate Similarity | NPD4967 | Phase 2 |
0.7188 | Intermediate Similarity | NPD4308 | Phase 3 |
0.7182 | Intermediate Similarity | NPD8055 | Clinical (unspecified phase) |
0.7179 | Intermediate Similarity | NPD4625 | Phase 3 |
0.7171 | Intermediate Similarity | NPD9717 | Approved |
0.7165 | Intermediate Similarity | NPD7801 | Approved |
0.7161 | Intermediate Similarity | NPD2861 | Phase 2 |
0.716 | Intermediate Similarity | NPD5889 | Approved |
0.716 | Intermediate Similarity | NPD5890 | Approved |
0.7152 | Intermediate Similarity | NPD7213 | Phase 3 |
0.7152 | Intermediate Similarity | NPD7212 | Phase 2 |
0.7151 | Intermediate Similarity | NPD7685 | Pre-registration |
0.7143 | Intermediate Similarity | NPD7184 | Clinical (unspecified phase) |
0.7135 | Intermediate Similarity | NPD1729 | Discontinued |
0.7125 | Intermediate Similarity | NPD4538 | Approved |
0.7125 | Intermediate Similarity | NPD4536 | Approved |
0.7125 | Intermediate Similarity | NPD4537 | Clinical (unspecified phase) |
0.7125 | Intermediate Similarity | NPD7097 | Phase 1 |
0.712 | Intermediate Similarity | NPD8319 | Approved |
0.712 | Intermediate Similarity | NPD8320 | Phase 1 |
0.7117 | Intermediate Similarity | NPD5698 | Clinical (unspecified phase) |
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.