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FULIK Overlaps. last updated:17 JUL 2021

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 40             dailymed_o 41             swisslipid 45             dailymed 46             clinicaltr 47             rxnorm
1 chembl 2065509 7996 14379 6536 3853 6781 31450 691 1159607 431289 234734 566 29750 508793 1419 5988 1717 429769 2003482 434789 7287 16734 58099 290 445331 208707 505866 67771 3124 3817 73 7273 48915 1500 24602 2216 192 2452 4663 4384
2 drugbank 7996 11161 5750 2553 1270 2077 5147 317 8000 4075 6472 331 7235 8653 1262 2153 896 7841 10727 2097 696 2043 5078 199 4784 7111 3813 5197 406 2948 15 1328 3794 513 4269 1365 57 1554 3753 3049
3 pdb 14379 5750 34179 1750 617 2091 4847 148 22754 6442 9456 264 4639 14920 466 1778 553 10809 31298 4753 1303 1194 5029 234 7528 10297 8489 5750 619 814 31 2037 6535 858 4657 529 108 603 1212 1112
4 gtopdb 6536 2553 1750 8411 949 1268 3024 263 5274 2893 4197 264 3739 6205 995 1403 784 5603 8200 1224 293 1994 2790 153 3950 4593 4041 3142 332 1496 9 752 2078 237 2871 985 40 1107 2091 1534
5 pubchem_dotf 3853 1270 617 949 5646 532 1741 284 2849 1788 2468 121 3252 4327 402 533 681 4306 5484 625 134 846 3021 32 2156 3027 1425 2361 143 838 4 309 1036 92 1667 632 12 649 998 726
6 kegg_ligand 6781 2077 2091 1268 532 14033 12722 236 8730 5223 6328 339 6517 9244 796 3442 445 7755 13629 2841 1528 1184 8853 344 5135 11385 2178 7053 1742 1222 136 3902 6102 1581 4526 810 73 885 1205 1695
7 chebi 31450 5147 4847 3024 1741 12722 117925 546 59823 22258 19155 531 16389 29607 1335 11463 1291 26782 115107 16132 3350 39340 20007 1124 21535 32529 8591 18084 7426 3804 226 21489 14824 8964 11660 1804 3796 1946 2718 3844
8 nih_ncc 691 317 148 263 284 236 546 719 315 606 375 77 564 638 233 270 304 587 696 364 70 395 542 14 546 379 254 523 41 307 2 65 293 31 490 374 5 378 299 315
9 zinc 1159607 8000 22754 5274 2849 8730 59823 315 16886865 3219764 456293 459 36647 783791 1069 22911 1183 486031 14201469 4597704 15572 34218 141881 335 4396253 391067 362263 250759 21406 2801 533 12093 50131 2582 79910 1072 23111 1249 3222 3293
10 emolecules 431289 4075 6442 2893 1788 5223 22258 606 3219764 5168336 188249 508 25371 302027 1101 5851 1534 127211 4997537 4190674 13100 11652 94952 304 3911732 131597 59652 179523 2319 2287 40 3779 17834 1469 70593 1629 212 1726 2254 3787
11 ibm 234734 6472 9456 4197 2468 6328 19155 375 456293 188249 7930403 428 31936 5508171 1293 7737 1078 882018 7382836 155740 15338 4562 105354 332 208648 297160 105897 243932 3840 3109 41 4974 28194 1770 69649 1154 261 1295 3243 3595
12 atlas 566 331 264 264 121 339 531 77 459 508 428 676 481 578 192 274 145 543 630 293 133 302 497 40 468 501 314 513 75 244 4 151 431 74 409 209 6 220 282 300
14 fdasrs 29750 7235 4639 3739 3252 6517 16389 564 36647 25371 31936 481 78690 53298 1305 6170 1517 39932 75954 12820 5987 3045 40493 318 25587 44875 7872 39183 2487 3801 111 4296 10729 1589 22470 2042 249 2251 4301 6166
15 surechembl 508793 8653 14920 6205 4327 9244 29607 638 783791 302027 5508171 578 53298 21624471 1559 11179 1765 1354537 19152552 240754 18654 6293 157153 442 347253 462027 315291 323974 7501 3847 395 7703 42134 2616 95724 2107 631 2316 4396 5697
17 pharmgkb 1419 1262 466 995 402 796 1335 233 1069 1101 1293 192 1305 1559 1633 1165 387 1359 1598 672 163 920 1284 61 1022 1283 803 1261 70 1172 2 217 832 91 1018 816 7 856 1070 1160
18 hmdb 5988 2153 1778 1403 533 3442 11463 270 22911 5851 7737 274 6170 11179 1165 113638 468 8371 101354 3367 1788 1259 7540 443 5655 11359 2136 6692 6484 1452 87 4344 4857 1215 4683 917 18196 998 1390 1985
20 selleck 1717 896 553 784 681 445 1291 304 1183 1534 1078 145 1517 1765 387 468 1890 1665 1808 633 125 922 1112 41 1772 1163 919 1413 90 608 2 203 751 93 1532 633 10 661 796 666
21 pubchem_tpharma 429769 7841 10809 5603 4306 7755 26782 587 486031 127211 882018 543 39932 1354537 1359 8371 1665 3858588 3706161 86684 18132 4898 81519 379 130111 718273 157166 134697 5152 3569 232 9018 40092 2175 52816 2000 388 2182 4056 5183
22 pubchem 2003482 10727 31298 8200 5484 13629 115107 696 14201469 4997537 7382836 630 75954 19152552 1598 101354 1808 3706161 109590174 8845106 42150 42258 381127 1219 7533397 3069870 629993 723551 39006 3929 786 20969 85503 8596 110167 2150 25513 2364 4510 6273
23 mcule 434789 2097 4753 1224 625 2841 16132 364 4597704 4190674 155740 293 12820 240754 672 3367 633 86684 8845106 32919693 9390 10230 62547 157 5268596 88366 53982 100204 887 1323 9 2000 11736 781 31698 783 32 837 1083 1893
24 nmrshiftdb2 7287 696 1303 293 134 1528 3350 70 15572 13100 15338 133 5987 18654 163 1788 125 18132 42150 9390 44205 408 12182 89 12519 22730 2048 14361 461 351 12 1133 3958 547 9682 207 25 231 356 789
25 lincs 16734 2043 1194 1994 846 1184 39340 395 34218 11652 4562 302 3045 6293 920 1259 922 4898 42258 10230 408 42741 3082 66 11040 4163 5596 3474 253 1501 5 1395 2108 168 2695 857 24 912 1633 1474
26 actor 58099 5078 5029 2790 3021 8853 20007 542 141881 94952 105354 497 40493 157153 1284 7540 1112 81519 381127 62547 12182 3082 411229 417 87651 144436 12823 220927 3443 3293 75 5134 16618 1835 46983 1719 255 1843 2737 4726
27 recon 290 199 234 153 32 344 1124 14 335 304 332 40 318 442 61 443 41 379 1219 157 89 66 417 1529 273 542 175 308 171 92 7 1031 477 916 246 74 229 90 114 159
28 molport 445331 4784 7528 3950 2156 5135 21535 546 4396253 3911732 208648 468 25587 347253 1022 5655 1772 130111 7533397 5268596 12519 11040 87651 273 7803496 132385 59303 168023 2512 2261 63 4318 17979 1555 83959 1675 318 1808 2956 3583
29 nikkaji 208707 7111 10297 4593 3027 11385 32529 379 391067 131597 297160 501 44875 462027 1283 11359 1163 718273 3069870 88366 22730 4163 144436 542 132385 3439411 68264 205095 8722 3578 547 11403 33303 3232 56598 1417 796 1606 3441 4717
31 bindingdb 505866 3813 8489 4041 1425 2178 8591 254 362263 59652 105897 314 7872 315291 803 2136 919 157166 629993 53982 2048 5596 12823 175 59303 68264 651036 17715 825 1479 9 1778 23883 579 7836 824 71 922 2028 1622
32 comptox 67771 5197 5750 3142 2361 7053 18084 523 250759 179523 243932 513 39183 323974 1261 6692 1413 134697 723551 100204 14361 3474 220927 308 168023 205095 17715 742310 3047 3096 61 4319 16279 1577 73945 1754 204 1900 2990 4737
33 lipidmaps 3124 406 619 332 143 1742 7426 41 21406 2319 3840 75 2487 7501 70 6484 90 5152 39006 887 461 253 3443 171 2512 8722 825 3047 42992 164 207 3407 2606 957 1748 94 7257 115 201 432
34 drugcentral 3817 2948 814 1496 838 1222 3804 307 2801 2287 3109 244 3801 3847 1172 1452 608 3569 3929 1323 351 1501 3293 92 2261 3578 1479 3096 164 4046 8 454 1400 171 2231 1287 25 1416 2132 2475
35 carotenoiddb 73 15 31 9 4 136 226 2 533 40 41 4 111 395 2 87 2 232 786 9 12 5 75 7 63 547 9 61 207 8 1174 94 159 108 44 5 7 9 11 16
36 metabolights 7273 1328 2037 752 309 3902 21489 65 12093 3779 4974 151 4296 7703 217 4344 203 9018 20969 2000 1133 1395 5134 1031 4318 11403 1778 4319 3407 454 94 21506 5691 4504 3221 277 1905 337 566 904
37 brenda 48915 3794 6535 2078 1036 6102 14824 293 50131 17834 28194 431 10729 42134 832 4857 751 40092 85503 11736 3958 2108 16618 477 17979 33303 23883 16279 2606 1400 159 5691 136045 3000 10937 934 358 1038 1730 2217
38 rhea 1500 513 858 237 92 1581 8964 31 2582 1469 1770 74 1589 2616 91 1215 93 2175 8596 781 547 168 1835 916 1555 3232 579 1577 957 171 108 4504 3000 8964 1254 129 1404 150 243 445
39 chemicalbook 24602 4269 4657 2871 1667 4526 11660 490 79910 70593 69649 409 22470 95724 1018 4683 1532 52816 110167 31698 9682 2695 46983 246 83959 56598 7836 73945 1748 2231 44 3221 10937 1254 114774 1617 141 1741 2722 3761
40 dailymed_old 2216 1365 529 985 632 810 1804 374 1072 1629 1154 209 2042 2107 816 917 633 2000 2150 783 207 857 1719 74 1675 1417 824 1754 94 1287 5 277 934 129 1617 2229 14 2113 1419 1534
41 swisslipids 192 57 108 40 12 73 3796 5 23111 212 261 6 249 631 7 18196 10 388 25513 32 25 24 255 229 318 796 71 204 7257 25 7 1905 358 1404 141 14 503725 18 31 72
45 dailymed 2452 1554 603 1107 649 885 1946 378 1249 1726 1295 220 2251 2316 856 998 661 2182 2364 837 231 912 1843 90 1808 1606 922 1900 115 1416 9 337 1038 150 1741 2113 18 2454 1659 1789
46 clinicaltrials 4663 3753 1212 2091 998 1205 2718 299 3222 2254 3243 282 4301 4396 1070 1390 796 4056 4510 1083 356 1633 2737 114 2956 3441 2028 2990 201 2132 11 566 1730 243 2722 1419 31 1659 4678 2356
47 rxnorm 4384 3049 1112 1534 726 1695 3844 315 3293 3787 3595 300 6166 5697 1160 1985 666 5183 6273 1893 789 1474 4726 159 3583 4717 1622 4737 432 2475 16 904 2217 445 3761 1534 72 1789 2356 6497