Structure

Physi-Chem Properties

MedChem Properties

ADMET Properties (ADMETlab2.0)

ADMET: Absorption

ADMET: Distribution

ADMET: Metabolism

ADMET: Excretion

ADMET: Toxicity

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Similar NPs/Drugs  

  Natural Product: NPC315214

*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
NPT445 Individual Protein Peripheral myelin protein 22 Rattus norvegicus Potency n.a. 8087.5 nM PMID[490019]
NPT20556 SINGLE PROTEIN Replicase polyprotein 1ab Severe acute respiratory syndrome coronavirus 2 Inhibition = 2.77 % PMID[490020]
NPT20555 ORGANISM SARS-CoV-2 Severe acute respiratory syndrome coronavirus 2 Inhibition = -0.06 % PMID[490021]

☑ 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 NPC315214 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 NPC47298
0.9933 High Similarity NPC32028
0.98 High Similarity NPC159319
0.9548 High Similarity NPC259545
0.9545 High Similarity NPC126481
0.9308 High Similarity NPC232340
0.9177 High Similarity NPC471294
0.8788 High Similarity NPC133306
0.8655 High Similarity NPC45850
0.8529 High Similarity NPC183805
0.8366 Intermediate Similarity NPC60553
0.8038 Intermediate Similarity NPC161292
0.8037 Intermediate Similarity NPC84508
0.7892 Intermediate Similarity NPC473057
0.784 Intermediate Similarity NPC153769
0.7834 Intermediate Similarity NPC245657
0.7797 Intermediate Similarity NPC128751
0.7771 Intermediate Similarity NPC280853
0.7753 Intermediate Similarity NPC469497
0.7753 Intermediate Similarity NPC106833
0.7746 Intermediate Similarity NPC88363
0.7746 Intermediate Similarity NPC72980
0.7722 Intermediate Similarity NPC285016
0.7707 Intermediate Similarity NPC471596
0.7697 Intermediate Similarity NPC246700
0.764 Intermediate Similarity NPC206186
0.7627 Intermediate Similarity NPC94943
0.7616 Intermediate Similarity NPC474409
0.7614 Intermediate Similarity NPC212535
0.7595 Intermediate Similarity NPC471594
0.7578 Intermediate Similarity NPC471598
0.7574 Intermediate Similarity NPC97367
0.7571 Intermediate Similarity NPC190007
0.7544 Intermediate Similarity NPC44161
0.7529 Intermediate Similarity NPC471178
0.7529 Intermediate Similarity NPC288943
0.7516 Intermediate Similarity NPC278451
0.7515 Intermediate Similarity NPC471177
0.7515 Intermediate Similarity NPC59779
0.7515 Intermediate Similarity NPC124542
0.75 Intermediate Similarity NPC288445
0.75 Intermediate Similarity NPC478032
0.7486 Intermediate Similarity NPC283152
0.7485 Intermediate Similarity NPC141353
0.7473 Intermediate Similarity NPC249040
0.7471 Intermediate Similarity NPC303225
0.747 Intermediate Similarity NPC26872
0.7457 Intermediate Similarity NPC476686
0.7457 Intermediate Similarity NPC476688
0.7457 Intermediate Similarity NPC105758
0.743 Intermediate Similarity NPC476319
0.7405 Intermediate Similarity NPC153042
0.7405 Intermediate Similarity NPC474188
0.7389 Intermediate Similarity NPC171171
0.7377 Intermediate Similarity NPC280964
0.7377 Intermediate Similarity NPC114335
0.7377 Intermediate Similarity NPC141915
0.7374 Intermediate Similarity NPC204717
0.7374 Intermediate Similarity NPC320394
0.7348 Intermediate Similarity NPC66083
0.7341 Intermediate Similarity NPC278874
0.7337 Intermediate Similarity NPC26850
0.7333 Intermediate Similarity NPC314002
0.7318 Intermediate Similarity NPC220765
0.7318 Intermediate Similarity NPC19679
0.7316 Intermediate Similarity NPC475070
0.7314 Intermediate Similarity NPC208060
0.7301 Intermediate Similarity NPC470394
0.7301 Intermediate Similarity NPC470404
0.7301 Intermediate Similarity NPC470403
0.7293 Intermediate Similarity NPC194040
0.7293 Intermediate Similarity NPC314573
0.7292 Intermediate Similarity NPC477111
0.7283 Intermediate Similarity NPC108469
0.7278 Intermediate Similarity NPC62069
0.7268 Intermediate Similarity NPC3715
0.7263 Intermediate Similarity NPC223427
0.7257 Intermediate Similarity NPC158129
0.7253 Intermediate Similarity NPC46580
0.7243 Intermediate Similarity NPC329541
0.7238 Intermediate Similarity NPC42591
0.7219 Intermediate Similarity NPC70956
0.7219 Intermediate Similarity NPC243834
0.7212 Intermediate Similarity NPC470395
0.7209 Intermediate Similarity NPC177404
0.7209 Intermediate Similarity NPC224632
0.7202 Intermediate Similarity NPC475910
0.7202 Intermediate Similarity NPC470931
0.72 Intermediate Similarity NPC473764
0.72 Intermediate Similarity NPC314940
0.7196 Intermediate Similarity NPC329747
0.7196 Intermediate Similarity NPC329793
0.7189 Intermediate Similarity NPC324149
0.7189 Intermediate Similarity NPC99666
0.7188 Intermediate Similarity NPC477113
0.7184 Intermediate Similarity NPC98187
0.7167 Intermediate Similarity NPC144114
0.7165 Intermediate Similarity NPC476116
0.7158 Intermediate Similarity NPC254762
0.7143 Intermediate Similarity NPC476167
0.7143 Intermediate Similarity NPC317430
0.7143 Intermediate Similarity NPC154293
0.7127 Intermediate Similarity NPC176127
0.7126 Intermediate Similarity NPC257142
0.7121 Intermediate Similarity NPC469928
0.7121 Intermediate Similarity NPC330009
0.7121 Intermediate Similarity NPC183407
0.712 Intermediate Similarity NPC475112
0.712 Intermediate Similarity NPC291535
0.712 Intermediate Similarity NPC475085
0.712 Intermediate Similarity NPC32771
0.7112 Intermediate Similarity NPC276517
0.7107 Intermediate Similarity NPC478074
0.7104 Intermediate Similarity NPC61350
0.7095 Intermediate Similarity NPC184964
0.709 Intermediate Similarity NPC192315
0.709 Intermediate Similarity NPC306376
0.7088 Intermediate Similarity NPC84478
0.7083 Intermediate Similarity NPC476098
0.7081 Intermediate Similarity NPC95783
0.7079 Intermediate Similarity NPC189812
0.7079 Intermediate Similarity NPC312872
0.7079 Intermediate Similarity NPC329688
0.7076 Intermediate Similarity NPC285469
0.7074 Intermediate Similarity NPC205403
0.7072 Intermediate Similarity NPC477891
0.7072 Intermediate Similarity NPC314394
0.7069 Intermediate Similarity NPC118511
0.7062 Intermediate Similarity NPC193777
0.7059 Intermediate Similarity NPC36168
0.7056 Intermediate Similarity NPC67659
0.7052 Intermediate Similarity NPC131718
0.7043 Intermediate Similarity NPC469390
0.7039 Intermediate Similarity NPC150048
0.7039 Intermediate Similarity NPC203754
0.7039 Intermediate Similarity NPC134586
0.7037 Intermediate Similarity NPC77555
0.7026 Intermediate Similarity NPC18348
0.7022 Intermediate Similarity NPC313791
0.7022 Intermediate Similarity NPC472123
0.7022 Intermediate Similarity NPC34508
0.7011 Intermediate Similarity NPC16667
0.701 Intermediate Similarity NPC475841
0.701 Intermediate Similarity NPC474145
0.7006 Intermediate Similarity NPC164664
0.7006 Intermediate Similarity NPC280548
0.7 Intermediate Similarity NPC284348
0.7 Intermediate Similarity NPC211997
0.7 Intermediate Similarity NPC96890
0.6984 Remote Similarity NPC242209
0.6984 Remote Similarity NPC472193
0.6979 Remote Similarity NPC267423
0.6971 Remote Similarity NPC476118
0.697 Remote Similarity NPC294620
0.697 Remote Similarity NPC48353
0.6968 Remote Similarity NPC289786
0.6963 Remote Similarity NPC476175
0.6963 Remote Similarity NPC128823
0.6963 Remote Similarity NPC280714
0.6959 Remote Similarity NPC137929
0.6959 Remote Similarity NPC164374
0.6954 Remote Similarity NPC5145
0.695 Remote Similarity NPC477110
0.6947 Remote Similarity NPC156704
0.6946 Remote Similarity NPC242556
0.6936 Remote Similarity NPC116573
0.6935 Remote Similarity NPC242928
0.6931 Remote Similarity NPC195314
0.6927 Remote Similarity NPC11017
0.6923 Remote Similarity NPC304183
0.6923 Remote Similarity NPC198339
0.6919 Remote Similarity NPC9894
0.6919 Remote Similarity NPC208284
0.6919 Remote Similarity NPC220337
0.6919 Remote Similarity NPC207726
0.6915 Remote Similarity NPC476041
0.6915 Remote Similarity NPC304926
0.6912 Remote Similarity NPC162748
0.6907 Remote Similarity NPC477135
0.6906 Remote Similarity NPC151939
0.6895 Remote Similarity NPC70259
0.6888 Remote Similarity NPC53344
0.6888 Remote Similarity NPC270918
0.6882 Remote Similarity NPC37548
0.6882 Remote Similarity NPC124005
0.6879 Remote Similarity NPC184476
0.6878 Remote Similarity NPC307963
0.6875 Remote Similarity NPC32200
0.6875 Remote Similarity NPC102423
0.6872 Remote Similarity NPC252590
0.6872 Remote Similarity NPC470500
0.6869 Remote Similarity NPC309845
0.6869 Remote Similarity NPC471304
0.6868 Remote Similarity NPC472443
0.6868 Remote Similarity NPC472168
0.6868 Remote Similarity NPC270009
0.6863 Remote Similarity NPC81561
0.686 Remote Similarity NPC6215
0.6859 Remote Similarity NPC473814
0.6859 Remote Similarity NPC78767

  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 NPC315214 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
1.0 High Similarity NPD1684 Approved
1.0 High Similarity NPD1685 Approved
0.8362 Intermediate Similarity NPD5497 Clinical (unspecified phase)
0.8023 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD925 Approved
0.7738 Intermediate Similarity NPD926 Approved
0.773 Intermediate Similarity NPD6158 Phase 2
0.773 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.765 Intermediate Similarity NPD7889 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD2882 Phase 1
0.7609 Intermediate Similarity NPD2177 Approved
0.7609 Intermediate Similarity NPD2176 Approved
0.7609 Intermediate Similarity NPD2175 Phase 3
0.7602 Intermediate Similarity NPD1326 Approved
0.7602 Intermediate Similarity NPD1325 Approved
0.7586 Intermediate Similarity NPD6159 Phase 2
0.7542 Intermediate Similarity NPD2383 Phase 1
0.7516 Intermediate Similarity NPD3525 Discontinued
0.7485 Intermediate Similarity NPD425 Approved
0.7485 Intermediate Similarity NPD424 Approved
0.7474 Intermediate Similarity NPD2916 Discontinued
0.7458 Intermediate Similarity NPD4204 Approved
0.7458 Intermediate Similarity NPD4203 Approved
0.7457 Intermediate Similarity NPD1078 Clinical (unspecified phase)
0.7448 Intermediate Similarity NPD5936 Approved
0.7448 Intermediate Similarity NPD5939 Approved
0.7443 Intermediate Similarity NPD1503 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD6491 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD3810 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD862 Approved
0.7368 Intermediate Similarity NPD863 Approved
0.7368 Intermediate Similarity NPD861 Approved
0.7346 Intermediate Similarity NPD1592 Phase 3
0.734 Intermediate Similarity NPD4511 Phase 1
0.7333 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.733 Intermediate Similarity NPD2381 Approved
0.733 Intermediate Similarity NPD2380 Approved
0.733 Intermediate Similarity NPD5100 Phase 3
0.733 Intermediate Similarity NPD2382 Approved
0.7299 Intermediate Similarity NPD7474 Suspended
0.7294 Intermediate Similarity NPD604 Clinical (unspecified phase)
0.7294 Intermediate Similarity NPD5255 Approved
0.7273 Intermediate Similarity NPD6492 Phase 2
0.7273 Intermediate Similarity NPD5065 Approved
0.7247 Intermediate Similarity NPD3920 Phase 2
0.7243 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD2781 Approved
0.724 Intermediate Similarity NPD6290 Phase 2
0.7235 Intermediate Similarity NPD4669 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD4671 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD4670 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD4118 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD4702 Approved
0.7229 Intermediate Similarity NPD4703 Approved
0.7225 Intermediate Similarity NPD2780 Approved
0.7225 Intermediate Similarity NPD2782 Approved
0.7216 Intermediate Similarity NPD7418 Discontinued
0.7182 Intermediate Similarity NPD5083 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD4502 Phase 2
0.7173 Intermediate Similarity NPD4044 Discontinued
0.7168 Intermediate Similarity NPD444 Approved
0.7152 Intermediate Similarity NPD3813 Approved
0.7151 Intermediate Similarity NPD3417 Phase 1
0.7143 Intermediate Similarity NPD2762 Phase 2
0.7143 Intermediate Similarity NPD8396 Approved
0.7143 Intermediate Similarity NPD8395 Approved
0.7128 Intermediate Similarity NPD7948 Phase 1
0.7113 Intermediate Similarity NPD6376 Discontinued
0.709 Intermediate Similarity NPD2727 Phase 2
0.7086 Intermediate Similarity NPD4554 Clinical (unspecified phase)
0.7072 Intermediate Similarity NPD7414 Clinical (unspecified phase)
0.7062 Intermediate Similarity NPD3930 Clinical (unspecified phase)
0.7053 Intermediate Similarity NPD3814 Phase 1
0.7045 Intermediate Similarity NPD6872 Clinical (unspecified phase)
0.7039 Intermediate Similarity NPD6375 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD3931 Approved
0.7031 Intermediate Similarity NPD3928 Approved
0.7029 Intermediate Similarity NPD5744 Clinical (unspecified phase)
0.7021 Intermediate Similarity NPD6590 Discontinued
0.7018 Intermediate Similarity NPD5257 Clinical (unspecified phase)
0.701 Intermediate Similarity NPD3932 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD3404 Approved
0.7 Intermediate Similarity NPD5751 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD9706 Clinical (unspecified phase)
0.6988 Remote Similarity NPD3717 Discontinued
0.6983 Remote Similarity NPD9690 Approved
0.6971 Remote Similarity NPD5138 Approved
0.6971 Remote Similarity NPD5140 Approved
0.6966 Remote Similarity NPD5934 Clinical (unspecified phase)
0.6965 Remote Similarity NPD8109 Clinical (unspecified phase)
0.6961 Remote Similarity NPD1620 Clinical (unspecified phase)
0.6954 Remote Similarity NPD9705 Discontinued
0.6954 Remote Similarity NPD112 Approved
0.6949 Remote Similarity NPD2844 Phase 3
0.6943 Remote Similarity NPD6975 Discontinued
0.6939 Remote Similarity NPD7671 Approved
0.6939 Remote Similarity NPD7672 Approved
0.6927 Remote Similarity NPD3224 Phase 2
0.6923 Remote Similarity NPD5530 Phase 1
0.6918 Remote Similarity NPD5352 Clinical (unspecified phase)
0.6914 Remote Similarity NPD972 Clinical (unspecified phase)
0.691 Remote Similarity NPD4724 Clinical (unspecified phase)
0.6907 Remote Similarity NPD6991 Approved
0.6898 Remote Similarity NPD6281 Approved
0.6888 Remote Similarity NPD7222 Phase 2
0.6885 Remote Similarity NPD7867 Phase 1
0.6884 Remote Similarity NPD3330 Phase 1
0.6879 Remote Similarity NPD6026 Approved
0.6878 Remote Similarity NPD1038 Approved
0.6875 Remote Similarity NPD947 Approved
0.6868 Remote Similarity NPD5398 Clinical (unspecified phase)
0.6865 Remote Similarity NPD6227 Discontinued
0.6865 Remote Similarity NPD4889 Approved
0.6857 Remote Similarity NPD9398 Clinical (unspecified phase)
0.685 Remote Similarity NPD3243 Approved
0.6848 Remote Similarity NPD5596 Phase 2
0.6848 Remote Similarity NPD852 Discontinued
0.6842 Remote Similarity NPD6251 Discontinued
0.6842 Remote Similarity NPD4462 Approved
0.6842 Remote Similarity NPD4463 Approved
0.6839 Remote Similarity NPD2582 Approved
0.6839 Remote Similarity NPD2581 Approved
0.6834 Remote Similarity NPD6220 Phase 3
0.6828 Remote Similarity NPD5256 Discontinued
0.6826 Remote Similarity NPD5020 Approved
0.6825 Remote Similarity NPD3923 Approved
0.6825 Remote Similarity NPD6569 Phase 2
0.6825 Remote Similarity NPD3922 Approved
0.6825 Remote Similarity NPD3924 Approved
0.6825 Remote Similarity NPD3921 Approved
0.6806 Remote Similarity NPD6594 Discontinued
0.6806 Remote Similarity NPD5512 Phase 3
0.6805 Remote Similarity NPD1305 Clinical (unspecified phase)
0.6802 Remote Similarity NPD5429 Discontinued
0.68 Remote Similarity NPD1554 Clinical (unspecified phase)
0.6791 Remote Similarity NPD6141 Clinical (unspecified phase)
0.679 Remote Similarity NPD1251 Discontinued
0.6789 Remote Similarity NPD1304 Clinical (unspecified phase)
0.6789 Remote Similarity NPD6361 Phase 2
0.6789 Remote Similarity NPD802 Phase 2
0.6789 Remote Similarity NPD9695 Approved
0.6786 Remote Similarity NPD4795 Phase 2
0.6786 Remote Similarity NPD4038 Approved
0.6786 Remote Similarity NPD4035 Approved
0.6786 Remote Similarity NPD4034 Approved
0.6786 Remote Similarity NPD4033 Approved
0.6786 Remote Similarity NPD31 Approved
0.6786 Remote Similarity NPD32 Approved
0.6786 Remote Similarity NPD6506 Clinical (unspecified phase)
0.6786 Remote Similarity NPD4037 Approved
0.6786 Remote Similarity NPD4122 Approved
0.6786 Remote Similarity NPD4039 Approved
0.6786 Remote Similarity NPD4036 Approved
0.6782 Remote Similarity NPD6803 Clinical (unspecified phase)
0.678 Remote Similarity NPD7726 Phase 1
0.6774 Remote Similarity NPD3082 Discontinued
0.6772 Remote Similarity NPD5913 Phase 3
0.6772 Remote Similarity NPD5912 Clinical (unspecified phase)
0.6769 Remote Similarity NPD5669 Clinical (unspecified phase)
0.6766 Remote Similarity NPD2616 Phase 3
0.6766 Remote Similarity NPD2615 Phase 3
0.6765 Remote Similarity NPD6148 Clinical (unspecified phase)
0.6755 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6755 Remote Similarity NPD9714 Clinical (unspecified phase)
0.6753 Remote Similarity NPD1739 Approved
0.6753 Remote Similarity NPD6389 Clinical (unspecified phase)
0.6753 Remote Similarity NPD1740 Approved
0.6753 Remote Similarity NPD484 Approved
0.6751 Remote Similarity NPD4305 Clinical (unspecified phase)
0.675 Remote Similarity NPD9080 Approved
0.675 Remote Similarity NPD995 Clinical (unspecified phase)
0.675 Remote Similarity NPD9284 Approved
0.6748 Remote Similarity NPD6824 Clinical (unspecified phase)
0.6747 Remote Similarity NPD2323 Clinical (unspecified phase)
0.674 Remote Similarity NPD4112 Clinical (unspecified phase)
0.6738 Remote Similarity NPD4375 Approved
0.6736 Remote Similarity NPD7419 Discontinued
0.6735 Remote Similarity NPD4886 Phase 2
0.6727 Remote Similarity NPD1256 Approved
0.6727 Remote Similarity NPD1254 Approved
0.6727 Remote Similarity NPD1253 Approved
0.6727 Remote Similarity NPD1255 Approved
0.6719 Remote Similarity NPD3127 Clinical (unspecified phase)
0.6717 Remote Similarity NPD7453 Approved
0.6717 Remote Similarity NPD7452 Approved
0.6716 Remote Similarity NPD2794 Discontinued
0.6702 Remote Similarity NPD4551 Phase 2
0.67 Remote Similarity NPD7112 Discontinued
0.6698 Remote Similarity NPD5040 Clinical (unspecified phase)
0.6686 Remote Similarity NPD2789 Approved
0.6684 Remote Similarity NPD2952 Discontinued
0.6684 Remote Similarity NPD6208 Discontinued
0.6684 Remote Similarity NPD6610 Clinical (unspecified phase)
0.6684 Remote Similarity NPD5003 Discontinued
0.6683 Remote Similarity NPD5658 Approved
0.6667 Remote Similarity NPD7221 Approved
0.6667 Remote Similarity NPD7219 Approved
0.6667 Remote Similarity NPD5975 Clinical (unspecified phase)
0.6667 Remote Similarity NPD7469 Discontinued
0.6667 Remote Similarity NPD1649 Discontinued

  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