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FULIK Overlaps. last updated:28 JUN 2020

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 41             swisslipid 45             dailymed 46             clinicaltr
1 chembl 1939938 7618 12711 5832 3793 6682 30165 651 1136859 413483 229966 566 23936 480364 1407 5892 1681 424989 1881214 410948 7093 16541 56908 283 414486 205163 410967 65628 2985 3799 70 7054 46839 1343 20618 180 2412 4661
2 drugbank 7618 10750 5683 2289 1244 2035 4969 317 7802 3966 6307 328 5819 8284 1267 2133 885 7563 10340 2048 662 2018 4919 197 4459 6900 3053 5057 386 2906 13 1283 3703 485 3722 54 1515 3617
3 pdb 12711 5683 31151 1559 587 2036 4587 137 21893 5908 8897 260 4081 13797 451 1727 527 10367 28788 4286 1221 1115 4756 237 6619 9782 6129 5355 577 778 27 1959 6235 797 3927 99 577 1155
4 gtopdb 5832 2289 1559 7606 882 1189 2786 247 4994 2767 3997 257 2946 5784 929 1326 754 5237 7404 1173 281 1906 2600 151 3548 4301 3087 2965 324 1371 9 712 1917 222 2265 40 1007 1922
5 pubchem_dotf 3793 1244 587 882 5646 532 1708 284 2849 1788 2468 121 2625 4323 402 533 681 4306 5483 625 133 844 3021 32 2105 3027 1160 2361 143 838 4 303 1035 87 1528 12 647 993
6 kegg_ligand 6682 2035 2036 1189 532 14033 12703 236 8730 5223 6328 339 5707 9204 796 3442 445 7755 13620 2841 1522 1183 8853 344 4968 11385 1756 7053 1742 1222 136 3878 6083 1539 4234 75 877 1202
7 chebi 30165 4969 4587 2786 1708 12703 97892 544 56730 21442 17899 531 13246 27376 1333 8220 1275 24178 94898 15671 3136 39316 18986 1104 20316 29915 7248 17014 5612 3799 219 21122 13785 8266 10260 2879 1924 2672
8 nih_ncc 651 317 137 247 284 236 544 719 315 606 375 77 431 637 233 270 304 587 696 364 70 395 542 14 530 379 201 523 41 307 2 65 292 29 480 5 377 298
9 zinc 1136859 7802 21893 4994 2849 8730 56730 315 16886865 3219764 456293 459 33539 778107 1069 22911 1183 486031 14198992 4597704 15347 34186 141881 335 4402123 391067 335150 250759 21097 2801 533 11950 49250 2393 68173 23110 1224 3212
10 emolecules 413483 3966 5908 2767 1788 5223 21442 606 3219764 5168336 188249 508 20948 299109 1101 5851 1534 127211 4997801 4190674 12923 11642 94952 304 3942482 131597 55265 179523 2309 2287 40 3705 17557 1350 63093 212 1711 2247
11 ibm 229966 6307 8897 3997 2468 6328 17899 375 456293 188249 7930403 428 25082 5506747 1293 7737 1078 882018 7382518 155740 14994 4544 105354 332 201967 297160 95938 243932 3831 3109 41 4867 27932 1627 60646 262 1276 3232
12 atlas 566 328 260 257 121 339 531 77 459 508 428 676 428 578 192 274 145 543 630 293 131 301 497 40 449 501 250 513 75 244 4 150 429 73 400 6 219 282
14 fdasrs 23936 5819 4081 2946 2625 5707 13246 431 33539 20948 25082 428 61247 42309 1043 4953 1305 32533 59034 10553 5082 2519 32017 292 20821 35792 5969 33034 2153 2977 93 3731 9238 1377 17307 238 1876 3840
15 surechembl 480364 8284 13797 5784 4323 9204 27376 637 778107 299109 5506747 578 42309 20978783 1559 11119 1761 1352868 18188756 237353 18167 6220 156706 442 330307 459337 235616 322792 7416 3846 393 7499 41270 2401 81534 629 2272 4377
17 pharmgkb 1407 1267 451 929 402 796 1333 233 1069 1101 1293 192 1043 1559 1633 1165 387 1359 1598 672 160 916 1284 61 990 1283 634 1261 70 1172 2 216 825 90 978 7 856 1069
18 hmdb 5892 2133 1727 1326 533 3442 8220 270 22911 5851 7737 274 4953 11119 1165 113638 468 8371 101349 3367 1783 1256 7540 443 5453 11359 1769 6692 6494 1452 87 4285 4832 1148 4397 18198 994 1389
20 selleck 1681 885 527 754 681 445 1275 304 1183 1534 1078 145 1305 1761 387 468 1890 1665 1808 633 125 917 1112 41 1744 1163 739 1413 89 608 2 201 747 90 1490 10 657 793
21 pubchem_tpharma 424989 7563 10367 5237 4306 7755 24178 587 486031 127211 882018 543 32533 1352868 1359 8371 1665 3858588 3706145 86684 17844 4876 81519 379 126494 718273 141041 134697 5017 3569 232 8863 39578 1999 47047 389 2147 4042
22 pubchem 1881214 10340 28788 7404 5483 13620 94898 696 14198992 4997801 7382518 630 59034 18188756 1598 101349 1808 3706145 102466046 8990089 41528 42212 381023 1214 7372361 3069527 484725 723549 38587 3929 786 20617 82964 7922 91888 25484 2323 4498
23 mcule 410948 2048 4286 1173 625 2841 15671 364 4597704 4190674 155740 293 10553 237353 672 3367 633 86684 8990089 32919693 9356 10223 62547 157 5339858 88366 50093 100204 882 1323 9 1964 11512 711 28541 33 827 1086
24 nmrshiftdb2 7093 662 1221 281 133 1522 3136 70 15347 12923 14994 131 5082 18167 160 1783 125 17844 41528 9356 43449 408 11986 89 12190 22347 1858 14079 451 345 11 1095 3930 504 9114 25 223 349
25 lincs 16541 2018 1115 1906 844 1183 39316 395 34186 11642 4544 301 2519 6220 916 1256 917 4876 42212 10223 408 42694 3078 66 11017 4147 5092 3462 253 1497 5 1384 2087 157 2424 22 909 1623
26 actor 56908 4919 4756 2600 3021 8853 18986 542 141881 94952 105354 497 32017 156706 1284 7540 1112 81519 381023 62547 11986 3078 411229 417 86220 144436 11279 220927 3423 3293 75 5026 16496 1707 42808 255 1827 2729
27 recon 283 197 237 151 32 344 1104 14 335 304 332 40 292 442 61 443 41 379 1214 157 89 66 417 1529 269 542 146 308 171 92 7 1028 478 910 236 230 89 116
28 molport 414486 4459 6619 3548 2105 4968 20316 530 4402123 3942482 201967 449 20821 330307 990 5453 1744 126494 7372361 5339858 12190 11017 86220 269 7585238 127634 53910 164289 2363 2186 57 4058 17219 1379 71852 257 1719 2852
29 nikkaji 205163 6900 9782 4301 3027 11385 29915 379 391067 131597 297160 501 35792 459337 1283 11359 1163 718273 3069527 88366 22347 4147 144436 542 127634 3439411 61250 205095 8508 3578 547 11187 32956 2989 49448 797 1579 3430
31 bindingdb 410967 3053 6129 3087 1160 1756 7248 201 335150 55265 95938 250 5969 235616 634 1769 739 141041 484725 50093 1858 5092 11279 146 53910 61250 497466 15718 624 1168 7 1348 20407 444 5631 56 690 1532
32 comptox 65628 5057 5355 2965 2361 7053 17014 523 250759 179523 243932 513 33034 322792 1261 6692 1413 134697 723549 100204 14079 3462 220927 308 164289 205095 15718 742310 3029 3096 61 4217 16153 1450 65205 204 1878 2978
33 lipidmaps 2985 386 577 324 143 1742 5612 41 21097 2309 3831 75 2153 7416 70 6494 89 5017 38587 882 451 253 3423 171 2363 8508 624 3029 42172 164 209 3217 2571 893 1593 7241 114 200
34 drugcentral 3799 2906 778 1371 838 1222 3799 307 2801 2287 3109 244 2977 3846 1172 1452 608 3569 3929 1323 345 1497 3293 92 2186 3578 1168 3096 164 4046 8 452 1388 167 2091 24 1401 2130
35 carotenoiddb 70 13 27 9 4 136 219 2 533 40 41 4 93 393 2 87 2 232 786 9 11 5 75 7 57 547 7 61 209 8 1174 93 160 108 41 7 9 11
36 metabolights 7054 1283 1959 712 303 3878 21122 65 11950 3705 4867 150 3731 7499 216 4285 201 8863 20617 1964 1095 1384 5026 1028 4058 11187 1348 4217 3217 452 93 21154 5595 4291 2907 1901 331 556
37 brenda 46839 3703 6235 1917 1035 6083 13785 292 49250 17557 27932 429 9238 41270 825 4832 747 39578 82964 11512 3930 2087 16496 478 17219 32956 20407 16153 2571 1388 160 5595 135772 2847 10013 358 1018 1713
38 rhea 1343 485 797 222 87 1539 8266 29 2393 1350 1627 73 1377 2401 90 1148 90 1999 7922 711 504 157 1707 910 1379 2989 444 1450 893 167 108 4291 2847 8267 1098 1386 147 239
39 chemicalbook 20618 3722 3927 2265 1528 4234 10260 480 68173 63093 60646 400 17307 81534 978 4397 1490 47047 91888 28541 9114 2424 42808 236 71852 49448 5631 65205 1593 2091 41 2907 10013 1098 95365 130 1668 2458
41 swisslipids 180 54 99 40 12 75 2879 5 23110 212 262 6 238 629 7 18198 10 389 25484 33 25 22 255 230 257 797 56 204 7241 24 7 1901 358 1386 130 503722 18 31
45 dailymed 2412 1515 577 1007 647 877 1924 377 1224 1711 1276 219 1876 2272 856 994 657 2147 2323 827 223 909 1827 89 1719 1579 690 1878 114 1401 9 331 1018 147 1668 18 2412 1624
46 clinicaltrials 4661 3617 1155 1922 993 1202 2672 298 3212 2247 3232 282 3840 4377 1069 1389 793 4042 4498 1086 349 1623 2729 116 2852 3430 1532 2978 200 2130 11 556 1713 239 2458 31 1624 4661