Structure

Physi-Chem Properties

MedChem Properties

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

ADMET: Distribution

ADMET: Metabolism

ADMET: Excretion

ADMET: Toxicity

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  Natural Product: NPC253015

*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.

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference

☑ 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].

  NP Quantity Composition/Concentration

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].

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT1464 Individual Protein Phosphodiesterase 4D Homo sapiens IC50 > 20000.0 nM PMID[489648]

☑ 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.

  Chemically structural similarity: I. Similar Active Natural Products in NPASS

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 NPC253015 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 NPC471065
0.9927 High Similarity NPC286245
0.9927 High Similarity NPC272619
0.9645 High Similarity NPC44452
0.9441 High Similarity NPC218041
0.9441 High Similarity NPC9933
0.9441 High Similarity NPC145979
0.9441 High Similarity NPC260781
0.9441 High Similarity NPC469707
0.9441 High Similarity NPC182368
0.9441 High Similarity NPC469706
0.9441 High Similarity NPC214326
0.9441 High Similarity NPC225815
0.9441 High Similarity NPC185955
0.9357 High Similarity NPC278961
0.9357 High Similarity NPC113680
0.9353 High Similarity NPC472711
0.9343 High Similarity NPC199459
0.9343 High Similarity NPC52277
0.9343 High Similarity NPC177035
0.9286 High Similarity NPC48309
0.922 High Similarity NPC185307
0.922 High Similarity NPC477898
0.922 High Similarity NPC470950
0.9178 High Similarity NPC21902
0.9172 High Similarity NPC183380
0.9155 High Similarity NPC129417
0.9155 High Similarity NPC164183
0.9155 High Similarity NPC470235
0.9155 High Similarity NPC283995
0.9155 High Similarity NPC84181
0.9155 High Similarity NPC133251
0.9149 High Similarity NPC476356
0.9149 High Similarity NPC472714
0.9149 High Similarity NPC5262
0.9143 High Similarity NPC106944
0.9137 High Similarity NPC304152
0.9137 High Similarity NPC138738
0.9137 High Similarity NPC470413
0.9097 High Similarity NPC31325
0.9097 High Similarity NPC213074
0.9097 High Similarity NPC275284
0.9097 High Similarity NPC193473
0.9097 High Similarity NPC224674
0.9097 High Similarity NPC15956
0.9097 High Similarity NPC114505
0.9091 High Similarity NPC279298
0.9091 High Similarity NPC22150
0.9091 High Similarity NPC38041
0.9085 High Similarity NPC46092
0.9058 High Similarity NPC35731
0.9028 High Similarity NPC112861
0.9021 High Similarity NPC187774
0.9021 High Similarity NPC472712
0.9021 High Similarity NPC472713
0.9021 High Similarity NPC473046
0.9021 High Similarity NPC118385
0.9014 High Similarity NPC60249
0.8993 High Similarity NPC184938
0.8993 High Similarity NPC101624
0.8986 High Similarity NPC106669
0.8986 High Similarity NPC200645
0.8986 High Similarity NPC475227
0.8978 High Similarity NPC65942
0.8978 High Similarity NPC248307
0.8973 High Similarity NPC475940
0.8973 High Similarity NPC474893
0.8966 High Similarity NPC39657
0.8958 High Similarity NPC43508
0.8958 High Similarity NPC18979
0.8958 High Similarity NPC476301
0.8944 High Similarity NPC76871
0.8936 High Similarity NPC156376
0.8921 High Similarity NPC471942
0.8921 High Similarity NPC311256
0.8921 High Similarity NPC187194
0.8921 High Similarity NPC476411
0.8919 High Similarity NPC474442
0.8919 High Similarity NPC478268
0.8913 High Similarity NPC254275
0.8913 High Similarity NPC227002
0.8912 High Similarity NPC475224
0.8912 High Similarity NPC98624
0.8904 High Similarity NPC179809
0.8904 High Similarity NPC303013
0.8904 High Similarity NPC474795
0.8904 High Similarity NPC117788
0.8904 High Similarity NPC159697
0.8904 High Similarity NPC474856
0.8904 High Similarity NPC474940
0.8904 High Similarity NPC474834
0.8904 High Similarity NPC130959
0.8904 High Similarity NPC290902
0.8904 High Similarity NPC291326
0.8897 High Similarity NPC277458
0.8897 High Similarity NPC307050
0.8889 High Similarity NPC217635
0.8889 High Similarity NPC25292
0.8889 High Similarity NPC471667
0.8889 High Similarity NPC473045
0.8889 High Similarity NPC471063
0.8889 High Similarity NPC79429
0.8881 High Similarity NPC469559
0.8881 High Similarity NPC189115
0.8881 High Similarity NPC246947
0.8844 High Similarity NPC286235
0.8844 High Similarity NPC55158
0.8844 High Similarity NPC220006
0.8844 High Similarity NPC51328
0.8844 High Similarity NPC181452
0.8841 High Similarity NPC476345
0.8832 High Similarity NPC307110
0.8828 High Similarity NPC34587
0.8828 High Similarity NPC34927
0.8828 High Similarity NPC476382
0.8828 High Similarity NPC475096
0.8828 High Similarity NPC252292
0.8828 High Similarity NPC100998
0.8819 High Similarity NPC473044
0.8811 High Similarity NPC471908
0.8811 High Similarity NPC469661
0.8786 High Similarity NPC470881
0.8784 High Similarity NPC472709
0.8784 High Similarity NPC472710
0.8777 High Similarity NPC471505
0.8777 High Similarity NPC106739
0.8776 High Similarity NPC248132
0.8776 High Similarity NPC130449
0.8776 High Similarity NPC226153
0.8776 High Similarity NPC304048
0.8768 High Similarity NPC173308
0.8768 High Similarity NPC275950
0.8768 High Similarity NPC181079
0.8767 High Similarity NPC205796
0.8767 High Similarity NPC99515
0.8767 High Similarity NPC190714
0.8767 High Similarity NPC276753
0.8767 High Similarity NPC125755
0.8759 High Similarity NPC474178
0.8759 High Similarity NPC252307
0.8759 High Similarity NPC245826
0.875 High Similarity NPC94179
0.875 High Similarity NPC140502
0.875 High Similarity NPC253878
0.875 High Similarity NPC302506
0.8733 High Similarity NPC78809
0.8723 High Similarity NPC135777
0.8723 High Similarity NPC142547
0.8714 High Similarity NPC169973
0.8714 High Similarity NPC6836
0.8707 High Similarity NPC227902
0.8707 High Similarity NPC232992
0.8699 High Similarity NPC469586
0.8699 High Similarity NPC161700
0.8699 High Similarity NPC277867
0.8696 High Similarity NPC184092
0.8693 High Similarity NPC478269
0.869 High Similarity NPC265154
0.8686 High Similarity NPC165045
0.8686 High Similarity NPC264900
0.8686 High Similarity NPC118533
0.8686 High Similarity NPC108659
0.8686 High Similarity NPC79715
0.8686 High Similarity NPC231607
0.8684 High Similarity NPC11411
0.8681 High Similarity NPC471414
0.8676 High Similarity NPC228771
0.8676 High Similarity NPC29008
0.8676 High Similarity NPC266705
0.8671 High Similarity NPC88640
0.8671 High Similarity NPC184613
0.8671 High Similarity NPC6300
0.8671 High Similarity NPC98777
0.8671 High Similarity NPC193666
0.8671 High Similarity NPC212770
0.8671 High Similarity NPC114171
0.8671 High Similarity NPC123526
0.8671 High Similarity NPC230124
0.8662 High Similarity NPC77861
0.8658 High Similarity NPC24425
0.8652 High Similarity NPC107478
0.8649 High Similarity NPC175976
0.8649 High Similarity NPC116229
0.8649 High Similarity NPC270751
0.8643 High Similarity NPC252833
0.8639 High Similarity NPC241846
0.8639 High Similarity NPC93610
0.8636 High Similarity NPC1253
0.8636 High Similarity NPC100936
0.8633 High Similarity NPC242807
0.8633 High Similarity NPC187998
0.8633 High Similarity NPC145305
0.8633 High Similarity NPC153739
0.8633 High Similarity NPC42300
0.8633 High Similarity NPC80600
0.8633 High Similarity NPC77040
0.8633 High Similarity NPC257582
0.8633 High Similarity NPC92164
0.8633 High Similarity NPC241522
0.8633 High Similarity NPC174495

  Chemically structural similarity: II. Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC253015 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
0.8944 High Similarity NPD6674 Discontinued
0.8544 High Similarity NPD7228 Approved
0.8414 Intermediate Similarity NPD7266 Discontinued
0.8333 Intermediate Similarity NPD6234 Discontinued
0.8298 Intermediate Similarity NPD3027 Phase 3
0.8252 Intermediate Similarity NPD3620 Phase 2
0.8252 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.8247 Intermediate Similarity NPD37 Approved
0.8205 Intermediate Similarity NPD4966 Approved
0.8205 Intermediate Similarity NPD4967 Phase 2
0.8205 Intermediate Similarity NPD4965 Approved
0.8 Intermediate Similarity NPD7240 Approved
0.8 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD1613 Approved
0.7986 Intermediate Similarity NPD3705 Approved
0.7811 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD7074 Phase 3
0.7756 Intermediate Similarity NPD1653 Approved
0.7724 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7721 Intermediate Similarity NPD5283 Phase 1
0.7711 Intermediate Similarity NPD7054 Approved
0.7703 Intermediate Similarity NPD5735 Approved
0.7697 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7679 Intermediate Similarity NPD7685 Pre-registration
0.7669 Intermediate Similarity NPD7199 Phase 2
0.7667 Intermediate Similarity NPD4108 Discontinued
0.7665 Intermediate Similarity NPD7472 Approved
0.7655 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7643 Intermediate Similarity NPD1357 Approved
0.7635 Intermediate Similarity NPD4060 Phase 1
0.7627 Intermediate Similarity NPD7237 Clinical (unspecified phase)
0.7625 Intermediate Similarity NPD8455 Phase 2
0.7619 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7606 Intermediate Similarity NPD1091 Approved
0.7603 Intermediate Similarity NPD4908 Phase 1
0.7589 Intermediate Similarity NPD5126 Approved
0.7589 Intermediate Similarity NPD5125 Phase 3
0.7574 Intermediate Similarity NPD228 Approved
0.7556 Intermediate Similarity NPD7680 Approved
0.7534 Intermediate Similarity NPD2861 Phase 2
0.7517 Intermediate Similarity NPD3094 Phase 2
0.75 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7485 Intermediate Similarity NPD8312 Approved
0.7485 Intermediate Similarity NPD8313 Approved
0.7483 Intermediate Similarity NPD7097 Phase 1
0.7471 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD7251 Discontinued
0.747 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7442 Intermediate Similarity NPD7090 Clinical (unspecified phase)
0.744 Intermediate Similarity NPD3818 Discontinued
0.7436 Intermediate Similarity NPD5058 Phase 3
0.7427 Intermediate Similarity NPD7808 Phase 3
0.7426 Intermediate Similarity NPD3022 Approved
0.7426 Intermediate Similarity NPD3021 Approved
0.7412 Intermediate Similarity NPD6797 Phase 2
0.74 Intermediate Similarity NPD4140 Approved
0.7396 Intermediate Similarity NPD5844 Phase 1
0.7379 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7379 Intermediate Similarity NPD5327 Phase 3
0.7379 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD3092 Approved
0.7357 Intermediate Similarity NPD7157 Approved
0.7351 Intermediate Similarity NPD3657 Discovery
0.7349 Intermediate Similarity NPD8127 Discontinued
0.7342 Intermediate Similarity NPD4160 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD5762 Approved
0.7338 Intermediate Similarity NPD5763 Approved
0.7338 Intermediate Similarity NPD2029 Clinical (unspecified phase)
0.7326 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6166 Phase 2
0.7321 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7321 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD4625 Phase 3
0.7308 Intermediate Similarity NPD8166 Discontinued
0.7301 Intermediate Similarity NPD2977 Approved
0.7301 Intermediate Similarity NPD2978 Approved
0.7288 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD7040 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD7473 Discontinued
0.7278 Intermediate Similarity NPD7041 Phase 2
0.7273 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7266 Intermediate Similarity NPD7843 Approved
0.7255 Intermediate Similarity NPD4537 Clinical (unspecified phase)
0.7255 Intermediate Similarity NPD4536 Approved
0.7255 Intermediate Similarity NPD4538 Approved
0.7241 Intermediate Similarity NPD1610 Phase 2
0.7239 Intermediate Similarity NPD1934 Approved
0.7239 Intermediate Similarity NPD7945 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD7028 Phase 2
0.7219 Intermediate Similarity NPD27 Approved
0.7219 Intermediate Similarity NPD2489 Approved
0.7216 Intermediate Similarity NPD7906 Approved
0.7203 Intermediate Similarity NPD3091 Approved
0.7202 Intermediate Similarity NPD6232 Discontinued
0.7202 Intermediate Similarity NPD3051 Approved
0.72 Intermediate Similarity NPD7095 Approved
0.7195 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7193 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6353 Approved
0.7184 Intermediate Similarity NPD7312 Approved
0.7184 Intermediate Similarity NPD7313 Approved
0.7184 Intermediate Similarity NPD7311 Approved
0.7184 Intermediate Similarity NPD7310 Approved
0.7169 Intermediate Similarity NPD7975 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD7833 Phase 2
0.7169 Intermediate Similarity NPD7832 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD7831 Phase 2
0.7168 Intermediate Similarity NPD6559 Discontinued
0.7161 Intermediate Similarity NPD2438 Suspended
0.716 Intermediate Similarity NPD2969 Approved
0.716 Intermediate Similarity NPD2970 Approved
0.7159 Intermediate Similarity NPD4663 Approved
0.7152 Intermediate Similarity NPD5241 Discontinued
0.7152 Intermediate Similarity NPD6190 Approved
0.7152 Intermediate Similarity NPD5084 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2983 Phase 2
0.7143 Intermediate Similarity NPD2982 Phase 2
0.7143 Intermediate Similarity NPD7309 Approved
0.7134 Intermediate Similarity NPD5177 Phase 3
0.7125 Intermediate Similarity NPD7446 Clinical (unspecified phase)
0.7114 Intermediate Similarity NPD4624 Approved
0.7114 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7107 Intermediate Similarity NPD6783 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD2684 Approved
0.7101 Intermediate Similarity NPD3787 Discontinued
0.7097 Intermediate Similarity NPD5960 Phase 3
0.7097 Intermediate Similarity NPD5588 Approved
0.7095 Intermediate Similarity NPD8651 Approved
0.7091 Intermediate Similarity NPD6818 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD6331 Phase 2
0.7089 Intermediate Similarity NPD4109 Clinical (unspecified phase)
0.7089 Intermediate Similarity NPD4110 Phase 3
0.7086 Intermediate Similarity NPD4578 Approved
0.7086 Intermediate Similarity NPD4577 Approved
0.7081 Intermediate Similarity NPD5261 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD2981 Phase 2
0.707 Intermediate Similarity NPD7037 Approved
0.7067 Intermediate Similarity NPD3018 Phase 2
0.7067 Intermediate Similarity NPD5736 Approved
0.7059 Intermediate Similarity NPD1558 Phase 1
0.7055 Intermediate Similarity NPD7458 Discontinued
0.7039 Intermediate Similarity NPD5111 Phase 2
0.7039 Intermediate Similarity NPD5110 Phase 2
0.7039 Intermediate Similarity NPD5109 Approved
0.7037 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD4749 Approved
0.7025 Intermediate Similarity NPD3060 Approved
0.7019 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD6355 Discontinued
0.7012 Intermediate Similarity NPD4380 Phase 2
0.7006 Intermediate Similarity NPD1375 Discontinued
0.7 Intermediate Similarity NPD6584 Phase 3
0.6993 Remote Similarity NPD6671 Approved
0.6993 Remote Similarity NPD6233 Phase 2
0.6988 Remote Similarity NPD1465 Phase 2
0.6987 Remote Similarity NPD6029 Clinical (unspecified phase)
0.6987 Remote Similarity NPD6028 Clinical (unspecified phase)
0.6986 Remote Similarity NPD6516 Phase 2
0.6986 Remote Similarity NPD5846 Approved
0.6986 Remote Similarity NPD4626 Approved
0.6986 Remote Similarity NPD3095 Discontinued
0.6981 Remote Similarity NPD4628 Phase 3
0.6981 Remote Similarity NPD6658 Clinical (unspecified phase)
0.698 Remote Similarity NPD1283 Approved
0.6975 Remote Similarity NPD6273 Approved
0.6968 Remote Similarity NPD4097 Suspended
0.6968 Remote Similarity NPD6653 Approved
0.6951 Remote Similarity NPD4005 Discontinued
0.6951 Remote Similarity NPD5808 Clinical (unspecified phase)
0.6948 Remote Similarity NPD2979 Phase 3
0.6948 Remote Similarity NPD2238 Phase 2
0.6937 Remote Similarity NPD2677 Approved
0.6936 Remote Similarity NPD3751 Discontinued
0.6935 Remote Similarity NPD6823 Phase 2
0.6933 Remote Similarity NPD4727 Phase 1
0.6928 Remote Similarity NPD6798 Discontinued
0.6928 Remote Similarity NPD6812 Clinical (unspecified phase)
0.6927 Remote Similarity NPD6841 Approved
0.6927 Remote Similarity NPD6843 Phase 3
0.6927 Remote Similarity NPD6842 Approved
0.6919 Remote Similarity NPD6776 Approved
0.6919 Remote Similarity NPD6782 Approved
0.6919 Remote Similarity NPD6780 Approved
0.6919 Remote Similarity NPD6777 Approved
0.6919 Remote Similarity NPD6781 Approved
0.6919 Remote Similarity NPD6778 Approved
0.6919 Remote Similarity NPD6779 Approved
0.6918 Remote Similarity NPD4237 Approved
0.6918 Remote Similarity NPD4236 Phase 3
0.6918 Remote Similarity NPD5691 Approved
0.6914 Remote Similarity NPD7993 Clinical (unspecified phase)
0.6898 Remote Similarity NPD7435 Discontinued
0.6897 Remote Similarity NPD5536 Phase 2
0.6886 Remote Similarity NPD2801 Approved
0.6883 Remote Similarity NPD6663 Approved
0.6875 Remote Similarity NPD4535 Phase 3
0.6871 Remote Similarity NPD7526 Approved
0.6871 Remote Similarity NPD7527 Clinical (unspecified phase)

  Bioactivity similarity: Similar Natural Products in NPASS

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.

A: chemistry similarity
B: biological targets similarity
C: networks similarity
D: cell-based bioactivity similarity
E: similarity based on clinical data