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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: NPC247017

*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
NPT2 Others Unspecified IC50 = 67000.0 nM PMID[535834]
NPT27 Others Unspecified Activity > 20.0 % PMID[535834]

☑ 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 NPC247017 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 NPC98661
0.9933 High Similarity NPC189179
0.9933 High Similarity NPC227192
0.9933 High Similarity NPC163524
0.9933 High Similarity NPC176665
0.9933 High Similarity NPC93376
0.9933 High Similarity NPC224137
0.9933 High Similarity NPC287979
0.9933 High Similarity NPC305663
0.9933 High Similarity NPC75215
0.9932 High Similarity NPC44079
0.9932 High Similarity NPC26227
0.9932 High Similarity NPC201451
0.9867 High Similarity NPC152166
0.9867 High Similarity NPC261004
0.9867 High Similarity NPC115798
0.9867 High Similarity NPC22472
0.9867 High Similarity NPC288669
0.9867 High Similarity NPC4481
0.9867 High Similarity NPC18772
0.9867 High Similarity NPC130894
0.9867 High Similarity NPC300943
0.9867 High Similarity NPC9609
0.9867 High Similarity NPC191459
0.9867 High Similarity NPC176300
0.9867 High Similarity NPC253634
0.9867 High Similarity NPC143828
0.9867 High Similarity NPC7846
0.9867 High Similarity NPC25495
0.9867 High Similarity NPC204854
0.9867 High Similarity NPC19687
0.9867 High Similarity NPC105242
0.9867 High Similarity NPC18607
0.9866 High Similarity NPC43243
0.9866 High Similarity NPC474520
0.9866 High Similarity NPC266960
0.9866 High Similarity NPC49824
0.9866 High Similarity NPC245546
0.98 High Similarity NPC110070
0.98 High Similarity NPC78302
0.98 High Similarity NPC472438
0.98 High Similarity NPC7973
0.98 High Similarity NPC29841
0.98 High Similarity NPC203891
0.98 High Similarity NPC235215
0.98 High Similarity NPC101830
0.9799 High Similarity NPC138360
0.9799 High Similarity NPC280339
0.9799 High Similarity NPC128863
0.9799 High Similarity NPC214138
0.9799 High Similarity NPC92659
0.9799 High Similarity NPC183597
0.9799 High Similarity NPC227325
0.9799 High Similarity NPC167815
0.9799 High Similarity NPC201136
0.9799 High Similarity NPC196439
0.9799 High Similarity NPC50715
0.9799 High Similarity NPC4455
0.9799 High Similarity NPC146165
0.9799 High Similarity NPC163780
0.9799 High Similarity NPC2476
0.9797 High Similarity NPC275836
0.9797 High Similarity NPC275722
0.9797 High Similarity NPC131624
0.9797 High Similarity NPC241498
0.9797 High Similarity NPC198826
0.9797 High Similarity NPC301123
0.9797 High Similarity NPC162313
0.9797 High Similarity NPC212678
0.9797 High Similarity NPC83508
0.9797 High Similarity NPC120163
0.9797 High Similarity NPC25270
0.9797 High Similarity NPC142540
0.9797 High Similarity NPC57030
0.9797 High Similarity NPC256283
0.9797 High Similarity NPC239128
0.9797 High Similarity NPC222830
0.9797 High Similarity NPC187498
0.9797 High Similarity NPC71334
0.9797 High Similarity NPC156222
0.9797 High Similarity NPC293183
0.9797 High Similarity NPC27208
0.9797 High Similarity NPC188203
0.9797 High Similarity NPC301323
0.9797 High Similarity NPC100887
0.9735 High Similarity NPC193842
0.9733 High Similarity NPC268161
0.9733 High Similarity NPC292107
0.9733 High Similarity NPC55619
0.9733 High Similarity NPC200388
0.9733 High Similarity NPC100916
0.9733 High Similarity NPC178854
0.9732 High Similarity NPC276409
0.9732 High Similarity NPC86485
0.9732 High Similarity NPC250822
0.9732 High Similarity NPC69394
0.9732 High Similarity NPC75279
0.9732 High Similarity NPC183878
0.9732 High Similarity NPC160951
0.9732 High Similarity NPC22519
0.9732 High Similarity NPC274327
0.9732 High Similarity NPC231018
0.9732 High Similarity NPC145379
0.9732 High Similarity NPC176775
0.9732 High Similarity NPC255350
0.9732 High Similarity NPC47781
0.973 High Similarity NPC252933
0.973 High Similarity NPC133953
0.973 High Similarity NPC125062
0.973 High Similarity NPC200740
0.973 High Similarity NPC54394
0.973 High Similarity NPC225731
0.973 High Similarity NPC50403
0.973 High Similarity NPC28274
0.9667 High Similarity NPC256612
0.9667 High Similarity NPC208197
0.9667 High Similarity NPC32557
0.9667 High Similarity NPC20830
0.9667 High Similarity NPC213622
0.9667 High Similarity NPC189960
0.9664 High Similarity NPC82325
0.9664 High Similarity NPC279989
0.9664 High Similarity NPC123886
0.9664 High Similarity NPC134677
0.9664 High Similarity NPC55205
0.9662 High Similarity NPC184136
0.9662 High Similarity NPC77858
0.9662 High Similarity NPC306821
0.9603 High Similarity NPC265511
0.96 High Similarity NPC236223
0.96 High Similarity NPC78326
0.96 High Similarity NPC246204
0.96 High Similarity NPC162351
0.96 High Similarity NPC58382
0.96 High Similarity NPC270620
0.96 High Similarity NPC179126
0.9597 High Similarity NPC226973
0.9597 High Similarity NPC208043
0.9595 High Similarity NPC137062
0.9595 High Similarity NPC270465
0.9595 High Similarity NPC159103
0.9595 High Similarity NPC296197
0.9595 High Similarity NPC87125
0.9595 High Similarity NPC195351
0.9595 High Similarity NPC17286
0.9595 High Similarity NPC287101
0.9595 High Similarity NPC259713
0.9595 High Similarity NPC223579
0.9595 High Similarity NPC216318
0.9595 High Similarity NPC183950
0.9595 High Similarity NPC52005
0.9542 High Similarity NPC263449
0.9542 High Similarity NPC246478
0.9539 High Similarity NPC174908
0.9539 High Similarity NPC470402
0.9536 High Similarity NPC2928
0.9533 High Similarity NPC180234
0.9533 High Similarity NPC39732
0.9533 High Similarity NPC120537
0.9533 High Similarity NPC199100
0.9533 High Similarity NPC60972
0.953 High Similarity NPC219330
0.953 High Similarity NPC149127
0.953 High Similarity NPC286342
0.953 High Similarity NPC45873
0.953 High Similarity NPC50728
0.953 High Similarity NPC188871
0.953 High Similarity NPC166753
0.9527 High Similarity NPC120464
0.9484 High Similarity NPC470459
0.9481 High Similarity NPC308992
0.9477 High Similarity NPC152904
0.9477 High Similarity NPC195832
0.9474 High Similarity NPC235165
0.9474 High Similarity NPC472916
0.9474 High Similarity NPC255106
0.947 High Similarity NPC88645
0.947 High Similarity NPC292214
0.947 High Similarity NPC206238
0.947 High Similarity NPC167091
0.947 High Similarity NPC271779
0.9467 High Similarity NPC236769
0.9467 High Similarity NPC117579
0.9467 High Similarity NPC260895
0.9467 High Similarity NPC308451
0.9467 High Similarity NPC76376
0.9463 High Similarity NPC328119
0.9463 High Similarity NPC48479
0.9463 High Similarity NPC177298
0.9459 High Similarity NPC275772
0.9459 High Similarity NPC61871
0.9459 High Similarity NPC239312
0.9459 High Similarity NPC55557
0.9459 High Similarity NPC12200
0.9459 High Similarity NPC108406
0.9459 High Similarity NPC30647
0.9459 High Similarity NPC130230
0.9427 High Similarity NPC76482
0.9427 High Similarity NPC295082
0.9423 High Similarity NPC470457

  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 NPC247017 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
0.9732 High Similarity NPD2801 Approved
0.9392 High Similarity NPD1512 Approved
0.9276 High Similarity NPD1934 Approved
0.9257 High Similarity NPD1511 Approved
0.9221 High Similarity NPD3882 Suspended
0.9156 High Similarity NPD3817 Phase 2
0.9057 High Similarity NPD6166 Phase 2
0.9057 High Similarity NPD6167 Clinical (unspecified phase)
0.9057 High Similarity NPD6168 Clinical (unspecified phase)
0.9018 High Similarity NPD4338 Clinical (unspecified phase)
0.8968 High Similarity NPD2393 Clinical (unspecified phase)
0.8827 High Similarity NPD3818 Discontinued
0.8816 High Similarity NPD4378 Clinical (unspecified phase)
0.878 High Similarity NPD6797 Phase 2
0.8773 High Similarity NPD7054 Approved
0.8727 High Similarity NPD7251 Discontinued
0.872 High Similarity NPD7472 Approved
0.8675 High Similarity NPD7808 Phase 3
0.8606 High Similarity NPD7074 Phase 3
0.8553 High Similarity NPD5402 Approved
0.85 High Similarity NPD4868 Clinical (unspecified phase)
0.8457 Intermediate Similarity NPD5494 Approved
0.8447 Intermediate Similarity NPD7075 Discontinued
0.8418 Intermediate Similarity NPD4380 Phase 2
0.8405 Intermediate Similarity NPD1247 Approved
0.8387 Intermediate Similarity NPD6799 Approved
0.8355 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.8355 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.8354 Intermediate Similarity NPD6232 Discontinued
0.8344 Intermediate Similarity NPD1510 Phase 2
0.8333 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.8313 Intermediate Similarity NPD7473 Discontinued
0.8313 Intermediate Similarity NPD6801 Discontinued
0.8301 Intermediate Similarity NPD1549 Phase 2
0.8261 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.8261 Intermediate Similarity NPD1465 Phase 2
0.8225 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.8217 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.8214 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.82 Intermediate Similarity NPD943 Approved
0.82 Intermediate Similarity NPD1240 Approved
0.8193 Intermediate Similarity NPD3926 Phase 2
0.817 Intermediate Similarity NPD2796 Approved
0.8113 Intermediate Similarity NPD5403 Approved
0.8101 Intermediate Similarity NPD5401 Approved
0.8092 Intermediate Similarity NPD1607 Approved
0.8075 Intermediate Similarity NPD6599 Discontinued
0.8065 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8061 Intermediate Similarity NPD919 Approved
0.8037 Intermediate Similarity NPD7819 Suspended
0.8 Intermediate Similarity NPD5844 Phase 1
0.7988 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7987 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7933 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7914 Intermediate Similarity NPD7411 Suspended
0.7908 Intermediate Similarity NPD230 Phase 1
0.7908 Intermediate Similarity NPD447 Suspended
0.7867 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7857 Intermediate Similarity NPD6959 Discontinued
0.7848 Intermediate Similarity NPD3750 Approved
0.7843 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7843 Intermediate Similarity NPD1613 Approved
0.7821 Intermediate Similarity NPD2935 Discontinued
0.7799 Intermediate Similarity NPD6190 Approved
0.7785 Intermediate Similarity NPD2800 Approved
0.7778 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD6559 Discontinued
0.7733 Intermediate Similarity NPD3751 Discontinued
0.773 Intermediate Similarity NPD1653 Approved
0.7707 Intermediate Similarity NPD1551 Phase 2
0.7679 Intermediate Similarity NPD3749 Approved
0.7661 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7654 Intermediate Similarity NPD8397 Clinical (unspecified phase)
0.7647 Intermediate Similarity NPD3027 Phase 3
0.7632 Intermediate Similarity NPD9494 Approved
0.7625 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7616 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7602 Intermediate Similarity NPD3787 Discontinued
0.7597 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.7584 Intermediate Similarity NPD8055 Clinical (unspecified phase)
0.7576 Intermediate Similarity NPD3226 Approved
0.7569 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD1933 Approved
0.7561 Intermediate Similarity NPD920 Approved
0.7547 Intermediate Similarity NPD2344 Approved
0.7546 Intermediate Similarity NPD2534 Approved
0.7546 Intermediate Similarity NPD2532 Approved
0.7546 Intermediate Similarity NPD2533 Approved
0.7544 Intermediate Similarity NPD7199 Phase 2
0.7532 Intermediate Similarity NPD3748 Approved
0.7529 Intermediate Similarity NPD6234 Discontinued
0.7515 Intermediate Similarity NPD7768 Phase 2
0.7485 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.7484 Intermediate Similarity NPD2313 Discontinued
0.7483 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7473 Intermediate Similarity NPD7501 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7453 Intermediate Similarity NPD1243 Approved
0.7439 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7421 Intermediate Similarity NPD1509 Clinical (unspecified phase)
0.7407 Intermediate Similarity NPD4628 Phase 3
0.7405 Intermediate Similarity NPD6651 Approved
0.7401 Intermediate Similarity NPD5953 Discontinued
0.7386 Intermediate Similarity NPD1203 Approved
0.7375 Intermediate Similarity NPD6100 Approved
0.7375 Intermediate Similarity NPD6099 Approved
0.7362 Intermediate Similarity NPD2309 Approved
0.736 Intermediate Similarity NPD7685 Pre-registration
0.7348 Intermediate Similarity NPD8434 Phase 2
0.7337 Intermediate Similarity NPD37 Approved
0.7329 Intermediate Similarity NPD2346 Discontinued
0.7325 Intermediate Similarity NPD6233 Phase 2
0.7318 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7317 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7315 Intermediate Similarity NPD1548 Phase 1
0.7312 Intermediate Similarity NPD8090 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD2799 Discontinued
0.731 Intermediate Similarity NPD4967 Phase 2
0.731 Intermediate Similarity NPD4966 Approved
0.731 Intermediate Similarity NPD4965 Approved
0.7303 Intermediate Similarity NPD9269 Phase 2
0.7288 Intermediate Similarity NPD7286 Phase 2
0.7287 Intermediate Similarity NPD6779 Approved
0.7287 Intermediate Similarity NPD6777 Approved
0.7287 Intermediate Similarity NPD6780 Approved
0.7287 Intermediate Similarity NPD6778 Approved
0.7287 Intermediate Similarity NPD6776 Approved
0.7287 Intermediate Similarity NPD6781 Approved
0.7287 Intermediate Similarity NPD6782 Approved
0.7273 Intermediate Similarity NPD7390 Discontinued
0.7244 Intermediate Similarity NPD6832 Phase 2
0.7237 Intermediate Similarity NPD422 Phase 1
0.7235 Intermediate Similarity NPD6844 Discontinued
0.7233 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7232 Intermediate Similarity NPD7228 Approved
0.7216 Intermediate Similarity NPD2403 Approved
0.719 Intermediate Similarity NPD9717 Approved
0.7179 Intermediate Similarity NPD3018 Phase 2
0.7173 Intermediate Similarity NPD7435 Discontinued
0.7159 Intermediate Similarity NPD5242 Approved
0.7158 Intermediate Similarity NPD8150 Discontinued
0.7152 Intermediate Similarity NPD3268 Approved
0.7152 Intermediate Similarity NPD6798 Discontinued
0.7134 Intermediate Similarity NPD4908 Phase 1
0.7126 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7124 Intermediate Similarity NPD1610 Phase 2
0.7124 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7784 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD2798 Approved
0.7099 Intermediate Similarity NPD4308 Phase 3
0.7099 Intermediate Similarity NPD7033 Discontinued
0.7097 Intermediate Similarity NPD3225 Approved
0.7091 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7088 Intermediate Similarity NPD8312 Approved
0.7088 Intermediate Similarity NPD8313 Approved
0.7083 Intermediate Similarity NPD7697 Approved
0.7083 Intermediate Similarity NPD7696 Phase 3
0.7083 Intermediate Similarity NPD7698 Approved
0.7078 Intermediate Similarity NPD1608 Approved
0.7076 Intermediate Similarity NPD6386 Approved
0.7076 Intermediate Similarity NPD6385 Approved
0.7066 Intermediate Similarity NPD4357 Discontinued
0.7052 Intermediate Similarity NPD5353 Approved
0.7051 Intermediate Similarity NPD2797 Approved
0.7048 Intermediate Similarity NPD2354 Approved
0.7047 Intermediate Similarity NPD7871 Phase 2
0.7047 Intermediate Similarity NPD7870 Phase 2
0.7044 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD411 Approved
0.7039 Intermediate Similarity NPD9268 Approved
0.7032 Intermediate Similarity NPD2983 Phase 2
0.7032 Intermediate Similarity NPD2982 Phase 2
0.703 Intermediate Similarity NPD2654 Approved
0.7026 Intermediate Similarity NPD7701 Phase 2
0.7021 Intermediate Similarity NPD6534 Approved
0.7021 Intermediate Similarity NPD4363 Phase 3
0.7021 Intermediate Similarity NPD6535 Approved
0.7021 Intermediate Similarity NPD4360 Phase 2
0.702 Intermediate Similarity NPD5536 Phase 2
0.7019 Intermediate Similarity NPD6355 Discontinued
0.7012 Intermediate Similarity NPD1471 Phase 3
0.7006 Intermediate Similarity NPD5711 Approved
0.7006 Intermediate Similarity NPD5710 Approved
0.6982 Remote Similarity NPD1940 Clinical (unspecified phase)
0.6974 Remote Similarity NPD7584 Approved
0.6968 Remote Similarity NPD1481 Phase 2
0.6968 Remote Similarity NPD2981 Phase 2
0.6962 Remote Similarity NPD2861 Phase 2
0.6959 Remote Similarity NPD228 Approved
0.6957 Remote Similarity NPD4060 Phase 1
0.6954 Remote Similarity NPD4288 Approved
0.6954 Remote Similarity NPD7874 Approved
0.6954 Remote Similarity NPD7875 Clinical (unspecified phase)
0.6944 Remote Similarity NPD2163 Approved
0.6943 Remote Similarity NPD3267 Approved
0.6943 Remote Similarity NPD3266 Approved
0.6943 Remote Similarity NPD1470 Approved
0.694 Remote Similarity NPD7549 Discontinued
0.6931 Remote Similarity NPD2899 Discontinued
0.6928 Remote Similarity NPD1652 Phase 2

  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