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FULIK Overlaps. last updated:22 JUL 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 10733 5287 3762 6577 28989 652 1125068 409362 224915 566 21156 440777 1402 5757 1670 417352 1742944 406803 6914 16493 55925 278 412119 200157 513461 61505 2778 3719 69 6725 42431 1181 5045
2 drugbank 6240 9290 5470 2008 1132 1838 4164 303 7009 3460 5522 312 4506 6984 1264 2029 828 6427 8807 1804 581 1860 4103 180 3422 5939 3799 4043 339 2302 12 1179 3301 432 1276
3 pdb 10733 5470 26106 1341 542 1926 4165 129 20337 5040 8061 252 3456 11919 430 1622 488 9583 21819 3477 1119 1011 4284 230 5099 8994 7234 4546 531 709 26 1811 5477 715 1221
4 gtopdb 5287 2008 1341 6869 866 1171 2657 243 4736 2668 3839 254 2651 5290 908 1299 735 5006 6715 1112 265 1855 2545 152 2950 4125 4041 2690 321 1290 9 693 1755 214 717
5 pubchem_dotf 3762 1132 542 866 5646 532 1682 284 2849 1788 2468 121 2532 4304 401 533 681 4306 5442 625 124 844 3021 32 1881 3027 1611 2244 142 826 4 298 983 80 653
6 kegg_ligand 6577 1838 1926 1171 532 14033 12622 236 8730 5223 6328 339 5488 9096 799 3442 445 7755 13548 2841 1494 1183 8853 344 4654 11385 2465 6629 1740 1221 136 3838 5876 1467 1453
7 chebi 28989 4164 4165 2657 1682 12622 89650 541 55168 20850 17121 528 12080 25762 1331 7761 1256 23022 86308 15353 2984 39300 18332 1095 19240 28323 8970 15103 5089 3774 211 20381 12396 7420 3072
8 nih_ncc 652 303 129 243 284 236 541 719 315 606 375 77 426 637 233 270 304 587 685 364 68 395 542 14 549 379 299 512 41 307 2 65 280 24 310
9 zinc 1125068 7009 20337 4736 2849 8730 55168 315 16886865 3219764 456293 459 28782 765407 1066 22911 1183 486031 14111264 4597704 15280 34186 141881 335 4447408 391067 376959 246432 20895 2752 532 11647 44902 2185 10518
10 emolecules 409362 3460 5040 2668 1788 5223 20850 606 3219764 5168336 188249 508 18679 292759 1100 5851 1534 127211 4965844 4190674 12884 11642 94952 304 3981126 131597 56945 175173 2295 2277 40 3577 16065 1246 11476
11 ibm 224915 5522 8061 3839 2468 6328 17121 375 456293 188249 7930403 428 21663 5502607 1292 7737 1078 882018 7309173 155740 14952 4544 105354 332 184471 297160 126062 237202 3800 3077 40 4660 26337 1509 10335
12 atlas 566 312 252 254 121 339 528 77 459 508 428 676 423 576 193 274 145 543 628 293 129 301 497 40 463 501 336 493 75 244 4 149 415 69 203
14 fdasrs 21156 4506 3456 2651 2532 5488 12080 426 28782 18679 21663 423 52725 37122 1034 4747 1295 29459 50434 8999 4533 2445 27833 273 16327 31578 6266 26375 2002 2905 91 3307 8067 1188 4664
15 surechembl 440777 6984 11919 5290 4304 9096 25762 637 765407 292759 5502607 576 37122 19630234 1554 10969 1757 1348835 17070040 230553 18004 6160 155371 438 288305 452475 223054 308956 7197 3774 390 7103 37774 2193 13146
17 pharmgkb 1402 1264 430 908 401 799 1331 233 1066 1100 1292 193 1034 1554 1631 1167 387 1357 1612 671 156 916 1286 62 966 1282 930 1218 71 1169 2 218 794 86 499
18 hmdb 5757 2029 1622 1299 533 3442 7761 270 22911 5851 7737 274 4747 10969 1167 113638 468 8371 101363 3367 1762 1256 7540 443 5037 11359 2377 6006 6498 1451 87 4203 4628 1093 1391
20 selleck 1670 828 488 735 681 445 1256 304 1183 1534 1078 145 1295 1757 387 468 1890 1665 1800 633 116 917 1112 41 1779 1163 949 1359 89 597 2 200 697 83 757
21 pubchem_tpharma 417352 6427 9583 5006 4306 7755 23022 587 486031 127211 882018 543 29459 1348835 1357 8371 1665 3858588 3673870 86684 17777 4876 81519 379 114994 718273 186963 129481 4864 3517 231 8593 37439 1822 10410
22 pubchem 1742944 8807 21819 6715 5442 13548 86308 685 14111264 4965844 7309173 628 50434 17070040 1612 101363 1800 3673870 96107815 8914112 41333 41815 383434 1209 6939226 3057322 537920 709082 37687 3850 762 19762 74164 7067 13594
23 mcule 406803 1804 3477 1112 625 2841 15353 364 4597704 4190674 155740 293 8999 230553 671 3367 633 86684 8914112 32919693 9329 10223 62547 157 5439375 88366 54258 98150 881 1320 8 1914 10395 654 6312
24 nmrshiftdb2 6914 581 1119 265 124 1494 2984 68 15280 12884 14952 129 4533 18004 156 1762 116 17777 41333 9329 43321 396 11957 87 11634 22281 1922 13428 441 336 11 1026 3704 453 3086
25 lincs 16493 1860 1011 1855 844 1183 39300 395 34186 11642 4544 301 2445 6160 916 1256 917 4876 41815 10223 396 42694 3078 66 11164 4147 6070 3321 253 1484 5 1381 1967 142 805
26 actor 55925 4103 4284 2545 3021 8853 18332 542 141881 94952 105354 497 27833 155371 1286 7540 1112 81519 383434 62547 11957 3078 411229 417 80487 144436 13127 212060 3409 3283 75 4849 15515 1589 9290
27 recon 278 180 230 152 32 344 1095 14 335 304 332 40 273 438 62 443 41 379 1209 157 87 66 417 1529 255 542 206 267 172 92 7 1025 470 902 112
28 molport 412119 3422 5099 2950 1881 4654 19240 549 4447408 3981126 184471 463 16327 288305 966 5037 1779 114994 6939226 5439375 11634 11164 80487 255 7265593 115265 55293 148228 2001 2040 41 3530 14415 1170 11978
29 nikkaji 200157 5939 8994 4125 3027 11385 28323 379 391067 131597 297160 501 31578 452475 1282 11359 1163 718273 3057322 88366 22281 4147 144436 542 115265 3439411 72689 193840 8231 3539 544 10772 30431 2733 9796
31 bindingdb 513461 3799 7234 4041 1611 2465 8970 299 376959 56945 126062 336 6266 223054 930 2377 949 186963 537920 54258 1922 6070 13127 206 55293 72689 565357 16717 851 1571 10 2014 26006 554 1722
32 comptox 61505 4043 4546 2690 2244 6629 15103 512 246432 175173 237202 493 26375 308956 1218 6006 1359 129481 709082 98150 13428 3321 212060 267 148228 193840 16717 719884 2598 2943 48 3534 14068 1182 10410
33 lipidmaps 2778 339 531 321 142 1740 5089 41 20895 2295 3800 75 2002 7197 71 6498 89 4864 37687 881 441 253 3409 172 2001 8231 851 2598 40780 163 209 3105 2370 834 298
34 drugcentral 3719 2302 709 1290 826 1221 3774 307 2752 2277 3077 244 2905 3774 1169 1451 597 3517 3850 1320 336 1484 3283 92 2040 3539 1571 2943 163 3975 8 448 1311 162 922
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 41 544 10 48 209 8 1169 89 148 98 11
36 metabolights 6725 1179 1811 693 298 3838 20381 65 11647 3577 4660 149 3307 7103 218 4203 200 8593 19762 1914 1026 1381 4849 1025 3530 10772 2014 3534 3105 448 89 20385 5152 3991 837
37 brenda 42431 3301 5477 1755 983 5876 12396 280 44902 16065 26337 415 8067 37774 794 4628 697 37439 74164 10395 3704 1967 15515 470 14415 30431 26006 14068 2370 1311 148 5152 122673 2508 2869
38 rhea 1181 432 715 214 80 1467 7420 24 2185 1246 1509 69 1188 2193 86 1093 83 1822 7067 654 453 142 1589 902 1170 2733 554 1182 834 162 98 3991 2508 7420 389
39 chemicalbook 5045 1276 1221 717 653 1453 3072 310 10518 11476 10335 203 4664 13146 499 1391 757 10410 13594 6312 3086 805 9290 112 11978 9796 1722 10410 298 922 11 837 2869 389 13909