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FULIK Overlaps. last updated:16 SEP 2018

Some structures are found in two sources. The overlaps can be calculated in a variety of ways depending upon the definition of structural identity. When viewing these numbers, please ensure you understand the provisos in their calculation.

On this page are shown overlaps calculated on the basis of structural identity defined as FULIK (ie: identity of the full InChIKey). For more information on the definition of these definitions of structural identity go here .

All overlaps shown are up to date (no source has been updated since these overlaps were last calculated).


Key to Matrices.

Matrix 1: The Intersection. The absolute number of structures common between sources X and Y.
Matrix 2: The Union. The absolute number of structures in the union of X and Y.
Matrix 3: The 'Jaccard Distance'. The difference between the Union and the Intersection, divided by the Union..
Matrix 4: The Percent of source 'X' (header row) which overlaps with source 'Y' (first two columns).
Matrix 5: The Percent of source 'Y' (first two columns) which overlaps with source 'X' (header row).
Matrix 6: Exclusivity: The absolute number of structures in source 'Y' (first two columns) which do NOT occur in source 'X' (header row).
Matrix 7: Exclusivity: The Percent of structures in source 'Y' (first two columns) which do NOT occur in source 'X' (header row).

NB: Default Heatmap settings apply to all matrices combined, and are not reset on selection of an alternative matrix view.

Matrix 1
Matrix 2
Matrix 3
Matrix 4
Matrix 5
Matrix 6
Matrix 7
Matrix 1: The Intersection. The absolute number of structures common between sources X and Y.
<------------------------------------------------------------ 'X' sources ------------------------------------------------------------->
src_id ('Y') src_name ('Y') 1             chembl 2             drugbank 3             pdb 4             gtopdb 5             pubchem_do 6             kegg_ligan 7             chebi 8             nih_ncc 9             zinc 10             emolecules 11             ibm 12             atlas 14             fdasrs 15             surechembl 17             pharmgkb 18             hmdb 20             selleck 21             pubchem_tp 22             pubchem 23             mcule 24             nmrshiftdb 25             lincs 26             actor 27             recon 28             molport 29             nikkaji 31             bindingdb 32             comptox 33             lipidmaps 34             drugcentra 35             carotenoid 36             metaboligh 37             brenda 38             rhea 39             chemicalbo
1 chembl 1819286 6240 10804 5323 3762 6577 29054 652 1125068 409362 224915 566 21720 441011 1407 5757 1670 417352 1742944 406803 6917 16493 55925 278 413689 200157 513774 61505 2782 3719 69 6725 43938 1186 7309
2 drugbank 6240 9290 5478 2023 1132 1838 4168 303 7009 3460 5522 312 4530 6988 1267 2029 828 6427 8807 1804 581 1860 4103 180 3799 5939 3800 4043 339 2302 12 1179 3381 433 1698
3 pdb 10804 5478 26512 1366 545 1936 4202 129 20464 5111 8125 252 3548 12084 436 1634 493 9654 22088 3540 1123 1019 4321 231 5388 9066 7277 4594 537 715 26 1823 5680 724 1665
4 gtopdb 5323 2023 1366 6946 871 1175 2680 244 4766 2684 3858 255 2706 5346 917 1305 738 5035 6788 1119 266 1865 2553 152 3272 4156 4061 2704 323 1297 9 698 1818 216 921
5 pubchem_dotf 3762 1132 545 871 5646 532 1684 284 2849 1788 2468 121 2575 4305 402 533 681 4306 5442 625 124 844 3021 32 2131 3027 1611 2244 142 826 4 298 1012 80 848
6 kegg_ligand 6577 1838 1936 1175 532 14033 12623 236 8730 5223 6328 339 5552 9109 799 3442 445 7755 13548 2841 1496 1183 8853 344 4839 11385 2466 6629 1740 1221 136 3838 5949 1470 2055
7 chebi 29054 4168 4202 2680 1684 12623 90061 541 55296 20899 17201 527 12293 25902 1332 7793 1257 23141 86742 15377 3003 39303 18397 1095 19910 28463 8987 15158 5101 3773 211 20378 12752 7449 4453
8 nih_ncc 652 303 129 244 284 236 541 719 315 606 375 77 426 637 233 270 304 587 685 364 68 395 542 14 556 379 299 512 41 307 2 65 285 24 379
9 zinc 1125068 7009 20464 4766 2849 8730 55296 315 16886865 3219764 456293 459 30022 766475 1070 22911 1183 486031 14111436 4597704 15283 34186 141881 335 4457208 391067 377331 246432 20912 2752 532 11647 46623 2194 15674
10 emolecules 409362 3460 5111 2684 1788 5223 20899 606 3219764 5168336 188249 508 19329 293410 1101 5851 1534 127211 4965906 4190674 12886 11642 94952 304 3985369 131597 56973 175173 2302 2277 40 3577 16578 1250 17348
11 ibm 224915 5522 8125 3858 2468 6328 17201 375 456293 188249 7930403 428 22666 5503097 1294 7737 1078 882018 7309174 155740 14955 4544 105354 332 187758 297160 126285 237202 3806 3077 40 4660 26961 1520 15248
12 atlas 566 312 252 255 121 339 527 77 459 508 428 676 427 576 193 274 145 543 628 293 129 301 497 40 475 501 336 493 75 244 4 149 426 69 262
14 fdasrs 21720 4530 3548 2706 2575 5552 12293 426 30022 19329 22666 427 55122 38554 1039 4822 1295 30434 52734 9417 4726 2462 28949 279 18080 32791 6478 27476 2052 2904 91 3373 8457 1213 6868
15 surechembl 441011 6988 12084 5346 4305 9109 25902 637 766475 293410 5503097 576 38554 19751505 1560 10977 1758 1349187 17076410 231252 18020 6170 155493 438 294553 453077 226004 309235 7217 3774 390 7106 38980 2205 19924
17 pharmgkb 1407 1267 436 917 402 799 1332 233 1070 1101 1294 193 1039 1560 1637 1168 387 1362 1618 671 156 917 1288 62 1039 1286 931 1221 71 1170 2 218 815 86 625
18 hmdb 5757 2029 1634 1305 533 3442 7793 270 22911 5851 7737 274 4822 10977 1168 113638 468 8371 101363 3367 1763 1256 7540 443 5186 11359 2377 6006 6494 1451 87 4203 4715 1095 1979
20 selleck 1670 828 493 738 681 445 1257 304 1183 1534 1078 145 1295 1758 387 468 1890 1665 1800 633 116 917 1112 41 1788 1163 949 1359 89 597 2 200 728 83 934
21 pubchem_tpharma 417352 6427 9654 5035 4306 7755 23141 587 486031 127211 882018 543 30434 1349187 1362 8371 1665 3858588 3673870 86684 17783 4876 81519 379 117963 718273 187354 129481 4877 3517 231 8593 38298 1830 15298
22 pubchem 1742944 8807 22088 6788 5442 13548 86742 685 14111436 4965906 7309174 628 52734 17076410 1618 101363 1800 3673870 96213244 8914317 41341 41815 383445 1209 6957296 3057327 541224 709086 37723 3850 762 19764 76706 7098 20838
23 mcule 406803 1804 3540 1119 625 2841 15377 364 4597704 4190674 155740 293 9417 231252 671 3367 633 86684 8914317 32919693 9332 10223 62547 157 5444584 88366 54292 98150 883 1320 8 1914 10759 657 9050
24 nmrshiftdb2 6917 581 1123 266 124 1496 3003 68 15283 12886 14955 129 4726 18020 156 1763 116 17783 41341 9332 43337 397 11958 87 11768 22284 1927 13429 441 336 11 1028 3793 454 4285
25 lincs 16493 1860 1019 1865 844 1183 39303 395 34186 11642 4544 301 2462 6170 917 1256 917 4876 41815 10223 397 42694 3078 66 11381 4147 6071 3321 253 1484 5 1381 2032 143 1096
26 actor 55925 4103 4321 2553 3021 8853 18397 542 141881 94952 105354 497 28949 155493 1288 7540 1112 81519 383445 62547 11958 3078 411229 417 82060 144436 13135 212060 3414 3283 75 4849 15881 1595 13664
27 recon 278 180 231 152 32 344 1095 14 335 304 332 40 279 438 62 443 41 379 1209 157 87 66 417 1529 264 542 206 267 171 92 7 1025 476 902 143
28 molport 413689 3799 5388 3272 2131 4839 19910 556 4457208 3985369 187758 475 18080 294553 1039 5186 1788 117963 6957296 5444584 11768 11381 82060 264 7294314 118005 56066 150296 2113 2270 43 3662 15357 1223 17937
29 nikkaji 200157 5939 9066 4156 3027 11385 28463 379 391067 131597 297160 501 32791 453077 1286 11359 1163 718273 3057327 88366 22284 4147 144436 542 118005 3439411 72707 193840 8251 3539 544 10772 31390 2748 14478
31 bindingdb 513774 3800 7277 4061 1611 2466 8987 299 377331 56973 126285 336 6478 226004 931 2377 949 187354 541224 54292 1927 6071 13135 206 56066 72707 568755 16726 852 1571 10 2015 26873 556 2387
32 comptox 61505 4043 4594 2704 2244 6629 15158 512 246432 175173 237202 493 27476 309235 1221 6006 1359 129481 709086 98150 13429 3321 212060 267 150296 193840 16726 719884 2603 2943 48 3534 14495 1187 15617
33 lipidmaps 2782 339 537 323 142 1740 5101 41 20912 2302 3806 75 2052 7217 71 6494 89 4877 37723 883 441 253 3414 171 2113 8251 852 2603 40855 163 209 3105 2444 835 490
34 drugcentral 3719 2302 715 1297 826 1221 3773 307 2752 2277 3077 244 2904 3774 1170 1451 597 3517 3850 1320 336 1484 3283 92 2270 3539 1571 2943 163 3975 8 448 1347 162 1190
35 carotenoiddb 69 12 26 9 4 136 211 2 532 40 40 4 91 390 2 87 2 231 762 8 11 5 75 7 43 544 10 48 209 8 1169 89 150 100 14
36 metabolights 6725 1179 1823 698 298 3838 20378 65 11647 3577 4660 149 3373 7106 218 4203 200 8593 19764 1914 1028 1381 4849 1025 3662 10772 2015 3534 3105 448 89 20385 5273 3998 1242
37 brenda 43938 3381 5680 1818 1012 5949 12752 285 46623 16578 26961 426 8457 38980 815 4715 728 38298 76706 10759 3793 2032 15881 476 15357 31390 26873 14495 2444 1347 150 5273 127121 2568 4238
38 rhea 1186 433 724 216 80 1470 7449 24 2194 1250 1520 69 1213 2205 86 1095 83 1830 7098 657 454 143 1595 902 1223 2748 556 1187 835 162 100 3998 2568 7449 554
39 chemicalbook 7309 1698 1665 921 848 2055 4453 379 15674 17348 15248 262 6868 19924 625 1979 934 15298 20838 9050 4285 1096 13664 143 17937 14478 2387 15617 490 1190 14 1242 4238 554 21395