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FULIK Overlaps. last updated:06 JAN 2019

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 10939 5349 3762 6577 29119 652 1125068 409362 224915 566 22507 441501 1408 5757 1670 417352 1742946 406803 6920 16493 55925 278 412663 200157 580599 64234 2783 3719 69 6767 43938 1212 8730
2 drugbank 6240 9290 5488 2034 1132 1838 4174 303 7009 3460 5522 312 4569 7002 1267 2029 828 6427 8807 1804 583 1860 4103 180 3781 5939 3948 4288 339 2302 12 1179 3381 435 1989
3 pdb 10939 5488 27287 1390 555 1956 4279 132 20751 5292 8292 254 3759 12423 440 1656 501 9805 22777 3701 1144 1046 4418 236 5571 9226 7917 4955 544 723 26 1847 5744 743 2018
4 gtopdb 5349 2034 1390 7031 872 1176 2698 244 4796 2695 3874 255 2743 5396 920 1310 740 5063 6866 1128 267 1870 2562 152 3274 4175 4279 2899 322 1302 9 702 1825 217 1212
5 pubchem_dotf 3762 1132 555 872 5646 532 1687 284 2849 1788 2468 121 2595 4308 402 533 681 4306 5442 625 124 844 3021 32 2119 3027 1683 2361 142 826 4 299 1012 80 993
6 kegg_ligand 6577 1838 1956 1176 532 14033 12625 236 8730 5223 6328 339 5652 9123 799 3442 445 7755 13548 2841 1498 1183 8853 344 4829 11385 2557 7053 1740 1221 136 3851 5949 1485 2355
7 chebi 29119 4174 4279 2698 1687 12625 90455 542 55413 20948 17268 528 12611 26042 1332 7824 1258 23236 87002 15398 3018 39305 18453 1096 19900 28607 9279 16459 5128 3775 212 20526 12799 7586 5167
8 nih_ncc 652 303 132 244 284 236 542 719 315 606 375 77 427 637 233 270 304 587 685 364 68 395 542 14 554 379 306 523 41 307 2 65 285 25 394
9 zinc 1125068 7009 20751 4796 2849 8730 55413 315 16886865 3219764 456293 459 32275 768086 1071 22911 1183 486031 14112331 4597704 15286 34186 141881 335 4445354 391067 402083 250759 20918 2752 532 11720 46623 2234 19217
10 emolecules 409362 3460 5292 2695 1788 5223 20948 606 3219764 5168336 188249 508 20427 294213 1102 5851 1534 127211 4966032 4190674 12889 11642 94952 304 3976127 131597 57861 179523 2301 2277 40 3607 16578 1272 20067
11 ibm 224915 5522 8292 3874 2468 6328 17268 375 456293 188249 7930403 428 24188 5503620 1295 7737 1078 882018 7309314 155740 14957 4544 105354 332 187398 297160 133397 243932 3808 3077 40 4697 26961 1546 18275
12 atlas 566 312 254 255 121 339 528 77 459 508 428 676 427 576 193 274 145 543 628 293 129 301 497 40 472 501 347 513 75 244 4 149 426 70 274
14 fdasrs 22507 4569 3759 2743 2595 5652 12611 427 32275 20427 24188 427 58184 40504 1039 4883 1296 31543 55774 10255 4975 2488 31205 284 18921 34723 6980 32144 2091 2904 91 3522 8751 1263 8200
15 surechembl 441501 7002 12423 5396 4308 9123 26042 637 768086 294213 5503620 576 40504 19861165 1561 10988 1758 1349790 17332338 231949 18045 6177 155654 439 294924 453885 300381 320136 7232 3774 390 7168 39036 2239 24228
17 pharmgkb 1408 1267 440 920 402 799 1332 233 1071 1102 1295 193 1039 1561 1638 1168 387 1363 1619 672 156 917 1289 62 1034 1287 965 1263 71 1170 2 218 815 87 670
18 hmdb 5757 2029 1656 1310 533 3442 7824 270 22911 5851 7737 274 4883 10988 1168 113638 468 8371 101381 3367 1763 1256 7540 443 5175 11359 2473 6692 6493 1451 87 4222 4715 1101 2223
20 selleck 1670 828 501 740 681 445 1258 304 1183 1534 1078 145 1296 1758 387 468 1890 1665 1800 633 118 917 1112 41 1781 1163 994 1413 89 597 2 200 728 84 1129
21 pubchem_tpharma 417352 6427 9805 5063 4306 7755 23236 587 486031 127211 882018 543 31543 1349790 1363 8371 1665 3858588 3673906 86684 17786 4876 81519 379 117693 718273 198422 134697 4882 3517 231 8646 38298 1864 18087
22 pubchem 1742946 8807 22777 6866 5442 13548 87002 685 14112331 4966032 7309314 628 55774 17332338 1619 101381 1800 3673906 96877325 8915088 41349 41815 383477 1209 6959741 3059129 636323 728531 38044 3850 775 19903 76856 7230 25857
23 mcule 406803 1804 3701 1128 625 2841 15398 364 4597704 4190674 155740 293 10255 231949 672 3367 633 86684 8915088 32919693 9333 10223 62547 157 5436353 88366 55074 100204 883 1320 8 1933 10759 675 10325
24 nmrshiftdb2 6920 583 1144 267 124 1498 3018 68 15286 12889 14957 129 4975 18045 156 1763 118 17786 41349 9333 43342 399 11960 87 11749 22287 1986 14046 441 337 11 1040 3795 470 4805
25 lincs 16493 1860 1046 1870 844 1183 39305 395 34186 11642 4544 301 2488 6177 917 1256 917 4876 41815 10223 399 42694 3078 66 11337 4147 6181 3462 253 1484 5 1383 2032 146 1338
26 actor 55925 4103 4418 2562 3021 8853 18453 542 141881 94952 105354 497 31205 155654 1289 7540 1112 81519 383477 62547 11960 3078 411229 417 81895 144436 13467 220927 3413 3283 75 4885 15881 1621 15787
27 recon 278 180 236 152 32 344 1096 14 335 304 332 40 284 439 62 443 41 379 1209 157 87 66 417 1529 264 542 210 308 171 92 7 1025 476 904 148
28 molport 412663 3781 5571 3274 2119 4829 19900 554 4445354 3976127 187398 472 18921 294924 1034 5175 1781 117693 6959741 5436353 11749 11337 81895 264 7363011 117812 56999 153468 2117 2250 43 3696 15320 1244 21185
29 nikkaji 200157 5939 9226 4175 3027 11385 28607 379 391067 131597 297160 501 34723 453885 1287 11359 1163 718273 3059129 88366 22287 4147 144436 542 117812 3439411 76497 205095 8260 3539 544 10861 31390 2780 17442
31 bindingdb 580599 3948 7917 4279 1683 2557 9279 306 402083 57861 133397 347 6980 300381 965 2473 994 198422 636323 55074 1986 6181 13467 210 56999 76497 672577 17862 887 1640 10 2141 27718 589 3089
32 comptox 64234 4288 4955 2899 2361 7053 16459 523 250759 179523 243932 513 32144 320136 1263 6692 1413 134697 728531 100204 14046 3462 220927 308 153468 205095 17862 742310 3019 3069 61 4068 15478 1361 19112
33 lipidmaps 2783 339 544 322 142 1740 5128 41 20918 2301 3808 75 2091 7232 71 6493 89 4882 38044 883 441 253 3413 171 2117 8260 887 3019 41052 163 209 3121 2446 844 623
34 drugcentral 3719 2302 723 1302 826 1221 3775 307 2752 2277 3077 244 2904 3774 1170 1451 597 3517 3850 1320 337 1484 3283 92 2250 3539 1640 3069 163 3975 8 449 1347 164 1303
35 carotenoiddb 69 12 26 9 4 136 212 2 532 40 40 4 91 390 2 87 2 231 775 8 11 5 75 7 43 544 10 61 209 8 1169 90 150 101 16
36 metabolights 6767 1179 1847 702 299 3851 20526 65 11720 3607 4697 149 3522 7168 218 4222 200 8646 19903 1933 1040 1383 4885 1025 3696 10861 2141 4068 3121 449 90 20532 5300 4052 1460
37 brenda 43938 3381 5744 1825 1012 5949 12799 285 46623 16578 26961 426 8751 39036 815 4715 728 38298 76856 10759 3795 2032 15881 476 15320 31390 27718 15478 2446 1347 150 5300 127121 2594 4850
38 rhea 1212 435 743 217 80 1485 7586 25 2234 1272 1546 70 1263 2239 87 1101 84 1864 7230 675 470 146 1621 904 1244 2780 589 1361 844 164 101 4052 2594 7587 624
39 chemicalbook 8730 1989 2018 1212 993 2355 5167 394 19217 20067 18275 274 8200 24228 670 2223 1129 18087 25857 10325 4805 1338 15787 148 21185 17442 3089 19112 623 1303 16 1460 4850 624 26763