Natural Product ID:   | NPC491366 |
Common Name*:   | Polymers (>10 Mers) |
IUPAC Name:   | n.a. |
Synonyms:   | |
Standard InCHIKey:   | n.a. |
Standard InCHI:   | n.a. |
SMILES:   | n.a. |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | n.a. |
PubChem CID:   | n.a. |
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 |
---|---|---|---|---|---|---|---|---|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Seeds | n.a. | DOI[10.1002/(SICI)1097-0010(199909)79:12<1620::AID-JSFA410>3.0.CO;2-G] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1007/s00217-002-0656-1] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1007/s00217-015-2561-4] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | n.a. | n.a. | DOI[10.1016/j.foodchem.2007.07.014] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | n.a. | n.a. | DOI[10.1016/j.foodchem.2010.05.061] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1016/j.foodchem.2010.05.061] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1016/j.indcrop.2013.08.051] | |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | n.a. | Antalya and Mugla Provinces, Turkey | 200-Aug | DOI[10.1016/j.scienta.2010.10.027] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | n.a. | n.a. | DOI[10.1016/j.ssnmr.2006.05.001] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1016/j.yclnex.2017.01.002; 10.31989/ffhd.v6i3.245]DOI[10.1016/j.yclnex.2017.01.002; 10.31989/ffhd.v6i3.245] | |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. | DOI[10.1016/S0031-9422(00)00169-2] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Fruit | n.a. | n.a. | DOI[10.1016/S0963-9969(99)00095-2] |
NPO3347 | Vaccinium corymbosum | Species | Ericaceae | Eukaryota | Fruit | n.a. | n.a. | DOI[10.1016/S0963-9969(99)00095-2] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1080/09064710.2011.598543] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1111/j.1365-2621.1989.tb04709.x] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.1111/j.1745-4530.2009.00507.x] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.15835/NBHA4017181] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.17221/540/2012-CJFS] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.2137/145960607781635822] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.2478/aoas-2014-0072] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.3136/NSKKK.48.606] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | DOI[10.3390/agriculture2030244] | |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Leaves (mother plant) | Suwon, Korea | 2011-Sep | DOI[10.7235/HORT.2013.12200] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Roots (runner plant) | Suwon, Korea | 2011-Sep | DOI[10.7235/HORT.2013.12200] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Fruits | Suwon, Korea | 2012-Nov | DOI[10.7235/HORT.2013.12200] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Leaves | Suwon, Korea | DOI[10.7235/HORT.2013.12200] | |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Runners | Suwon, Korea | 2011-Sep | DOI[10.7235/HORT.2013.12200] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Leaves (runner plant) | Suwon, Korea | 2011-Sep | DOI[10.7235/HORT.2013.12200] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Roots (mother plant) | Suwon, Korea | 2011-Sep | DOI[10.7235/HORT.2013.12200] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | n.a. | kernel | n.a. |
PMID[10670815] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | n.a. | kernel | n.a. |
PMID[12232058] |
NPO590 | Malus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[13160012] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[1453178] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[15128023] |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | n.a. | Cork, Ireland | n.a. |
PMID[15223592] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. |
PMID[15563205] |
|
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Fruits | n.a. | n.a. |
PMID[15568772] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | Fruits | Malatya Fruit Research Institute | between the first and third weeks of 2005-Jul. |
PMID[18038980] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[18068204] |
NPO3347 | Vaccinium corymbosum | Species | Ericaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[21648406] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[21648406] |
NPO590 | Malus domestica | Species | Rosaceae | Eukaryota | n.a. | fruit | n.a. |
PMID[21648406] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. |
PMID[25026919] |
|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. |
PMID[25977015] |
|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. |
PMID[26351516] |
|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. |
PMID[27556441] |
|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | Schirgiswalde, Germany | 2008-Aug |
PMID[31206724] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | Cracow, Poland | 2008-Sep |
PMID[31206724] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | Schirgiswalde, Germany | 2008-Sep |
PMID[31206724] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | Schirgiswalde, Germany | 2008-Oct |
PMID[31206724] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. |
PMID[31619015] |
|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Flowers | n.a. |
PMID[9301422] |
|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. |
PMID[9301422] |
|
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[FooDB] | |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[FooDB] | |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO16038 | Ribes rubrum | Species | Grossulariaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO3347 | Vaccinium corymbosum | Species | Ericaceae | Eukaryota | Fruit | n.a. | n.a. | Database[FooDB] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | Petiole | n.a. | n.a. | Database[FooDB] |
NPO3347 | Vaccinium corymbosum | Species | Ericaceae | Eukaryota | Fruit Juice | n.a. | n.a. | Database[FooDB] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | Plant | n.a. | n.a. | Database[FooDB] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | Leaf | n.a. | n.a. | Database[FooDB] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | Root | n.a. | n.a. | Database[FooDB] |
NPO3776 | Pistacia vera | Species | Anacardiaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO3776 | Pistacia vera | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | Seed | n.a. | n.a. | Database[FooDB] |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | Testa | n.a. | n.a. | Database[FooDB] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[FooDB] | |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO41195 | Vaccinium angustifolium | Species | Ericaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16038 | Ribes rubrum | Species | Grossulariaceae | Eukaryota | Fruits | n.a. | Database[FooDB] | |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO3347 | Vaccinium corymbosum | Species | Ericaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO3776 | Pistacia vera | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO16038 | Ribes rubrum | Species | Grossulariaceae | Eukaryota | n.a. | n.a. | Database[FooDB] | |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | Seeds | n.a. | Database[Phenol-Explorer] | |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO16038 | Ribes rubrum | Species | Grossulariaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO3347 | Vaccinium corymbosum | Species | Ericaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO3776 | Pistacia vera | Species | Anacardiaceae | Eukaryota | Seeds | n.a. | Database[Phenol-Explorer] | |
NPO41195 | Vaccinium angustifolium | Species | Ericaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO590 | Malus domestica | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO590 | Malus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | Database[Phenol-Explorer] | |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | Fruits | n.a. | Database[Phenol-Explorer] | |
NPO590 | Malus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO3776 | Pistacia vera | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7269 | Aronia melanocarpa | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3776 | Pistacia vera | Species | Anacardiaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO16038 | Ribes rubrum | Species | Grossulariaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO590 | Malus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10029 | Prunus dulcis | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO4795 | Prunus armeniaca | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO3347 | Vaccinium corymbosum | Species | Ericaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO15401 | Theobroma cacao | Species | Malvaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO7546 | Prunus domestica | Species | Rosaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO10339 | Fragaria x ananassa | Species | Rosaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPO10339 | NPC491366 | n.a. | Fruits | 75.8 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO16038 | NPC491366 | n.a. | Fruits | 41.2 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO3347 | NPC491366 | n.a. | Fruits | 129 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO41195 | NPC491366 | n.a. | Fruits | 260.39999 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO4795 | NPC491366 | n.a. | Fruits | 0.8 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO590 | NPC491366 | n.a. | Fruits | 25.55 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO590 | NPC491366 | n.a. | Fruits | 32.65 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO7269 | NPC491366 | n.a. | Fruits | 542.59998 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO7546 | NPC491366 | n.a. | Fruits | 89.06667 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO15401 | NPC491366 | n.a. | n.a. | 86.45 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO15401 | NPC491366 | n.a. | n.a. | 1404.66667 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO15401 | NPC491366 | n.a. | n.a. | 420.57778 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO10029 | NPC491366 | n.a. | Seeds | 80.3 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
NPO3776 | NPC491366 | n.a. | Seeds | 122.5 | n.a. | n.a. | mg/100g of FW | Database [Phenol-Explorer] |
☑ 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 |
---|
☑ 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 NPC491366 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 |
---|
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC491366 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 |
---|
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.