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FIKHB Overlaps. last updated:15 APR 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 FIKHB (ie: identity of the connectivity layer of the 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
1 chembl 1648176 6464 11662 5377 4011 7162 30426 676 1423095 421420 246320 582 22234 395306 1496 7827 1742 435325 1605032 437362 7762 16937 65868 736 423964 220717 469410 66131 3509 3756 72 7002 46294 2208
2 drugbank 6464 8783 5485 2105 1193 2047 4150 339 7639 3861 6422 349 4666 7356 1430 2285 894 6815 8536 2185 779 2059 4650 471 3614 6224 4173 4375 404 2308 13 1132 3672 924
3 pdb 11662 5485 24315 1558 641 2308 4370 180 20528 5862 9842 303 3425 13234 585 2120 566 10910 21530 4142 1422 1276 5418 636 5550 9836 7963 5264 701 857 29 1816 6370 1684
4 gtopdb 5377 2105 1558 6433 904 1299 2775 268 5607 2953 4440 279 2877 5322 1013 1456 776 5233 6375 1342 383 2027 2893 363 3081 4440 4325 2948 361 1324 4 705 1922 492
5 pubchem_dotf 4011 1193 641 904 5588 618 1852 318 3603 2068 3061 134 2886 4546 480 658 744 4695 5495 818 180 971 3576 65 1994 3318 1780 2499 177 876 2 338 1117 155
6 kegg_ligand 7162 2047 2308 1299 618 13076 12587 283 10950 6048 7834 384 6049 9607 894 4464 512 8921 12848 3560 1789 1418 10260 990 4894 12102 2873 7396 2214 1342 150 3936 6478 3441
7 chebi 30426 4150 4370 2775 1852 12587 56997 574 45136 22921 18522 557 12570 25332 1466 9550 1369 24878 55910 16203 3303 20867 20489 1231 20038 28575 9668 16179 5462 3799 203 14877 12287 6400
8 nih_ncc 676 339 180 268 318 283 574 704 409 644 397 92 555 655 282 313 342 635 685 437 93 406 613 26 578 412 329 583 52 344 1 75 318 44
9 zinc 1423095 7639 20528 5607 3603 10950 45136 409 11502483 4516415 575537 548 27391 875494 1452 33967 1355 591385 10569089 5768145 19173 19450 178571 1172 6293512 447285 462870 287759 28507 3610 632 12923 55327 5055
10 emolecules 421420 3861 5862 2953 2068 6048 22921 644 4516415 5068286 198663 550 20749 294687 1261 7207 1625 138691 4918383 4413324 13525 12616 106441 705 4185021 142759 61240 180032 2997 2501 55 4026 17630 2270
11 ibm 246320 6422 9842 4440 3061 7834 18522 397 575537 198663 7505114 505 25278 5631459 1444 10268 1230 996095 6983177 157620 16382 4754 120989 924 183778 340557 142443 243797 6159 3441 184 5530 30558 3469
12 atlas 582 349 303 279 134 384 557 92 548 550 505 667 480 599 231 327 156 572 626 354 176 336 544 73 493 544 363 528 83 269 3 166 465 126
14 fdasrs 22234 4666 3425 2877 2886 6049 12570 555 27391 20749 25278 480 48222 37610 1341 6191 1485 31404 47066 10712 5105 2976 31661 622 16970 31482 6958 28005 2148 3295 81 3233 8651 1891
15 surechembl 395306 7356 13234 5322 4546 9607 25332 655 875494 294687 5631459 599 37610 17181551 1586 12586 1804 1382635 15415606 240955 18786 5985 165699 1118 274419 463899 221149 319128 7422 3804 477 7004 39117 4252
17 pharmgkb 1496 1430 585 1013 480 894 1466 282 1452 1261 1444 231 1341 1586 1612 1320 458 1505 1601 846 243 1065 1465 113 1103 1442 1062 1411 94 1347 3 252 927 173
18 hmdb 7827 2285 2120 1456 658 4464 9550 313 33967 7207 10268 327 6191 12586 1320 96335 568 12127 96033 4154 2085 1468 9901 1383 5961 16795 3064 7753 9483 1598 191 5363 6294 2851
20 selleck 1742 894 566 776 744 512 1369 342 1355 1625 1230 156 1485 1804 458 568 1871 1752 1832 809 168 1017 1289 60 1798 1250 1010 1510 107 637 2 226 798 134
21 pubchem_tpharma 435325 6815 10910 5233 4695 8921 24878 635 591385 138691 996095 572 31404 1382635 1505 12127 1752 3572238 3485778 100554 19987 5172 94863 966 119253 765482 201624 143862 6452 3702 308 9379 41688 3516
22 pubchem 1605032 8536 21530 6375 5495 12848 55910 685 10569089 4918383 6983177 626 47066 15415606 1601 96033 1832 3485778 79661119 8186298 41198 21415 389573 1409 6848614 2715801 512116 705044 36764 3834 783 14652 75247 6276
23 mcule 437362 2185 4142 1342 818 3560 16203 437 5768145 4413324 157620 354 10712 240955 846 4154 809 100554 8186298 31612061 9943 10978 72835 402 5618886 100192 58631 102797 1388 1628 16 2360 11919 1323
24 nmrshiftdb2 7762 779 1422 383 180 1789 3303 93 19173 13525 16382 176 5105 18786 243 2085 168 19987 41198 9943 41803 506 13139 221 11938 24635 2181 14665 594 468 21 1218 4107 798
25 lincs 16937 2059 1276 2027 971 1418 20867 406 19450 12616 4754 336 2976 5985 1065 1468 1017 5172 21415 10978 506 21950 3551 153 12009 4563 6457 3711 331 1655 4 1128 2213 333
26 actor 65868 4650 5418 2893 3576 10260 20489 613 178571 106441 120989 544 31661 165699 1465 9901 1289 94863 389573 72835 13139 3551 398782 1000 87241 160363 15767 230654 4703 3596 133 5818 18368 3247
27 recon 736 471 636 363 65 990 1231 26 1172 705 924 73 622 1118 113 1383 60 966 1409 402 221 153 1000 1433 530 1208 438 676 552 179 10 1099 1102 1032
28 molport 423964 3614 5550 3081 1994 4894 20038 578 6293512 4185021 183778 493 16970 274419 1103 5961 1798 119253 6848614 5618886 11938 12009 87241 530 7020721 117620 58694 142698 2430 2172 42 3479 14865 1836
29 nikkaji 220717 6224 9836 4440 3318 12102 28575 412 447285 142759 340557 544 31482 463899 1442 16795 1250 765482 2715801 100192 24635 4563 160363 1208 117620 3063751 81744 211060 11077 3691 624 10923 32262 4937
31 bindingdb 469410 4173 7963 4325 1780 2873 9668 329 462870 61240 142443 363 6958 221149 1062 3064 1010 201624 512116 58631 2181 6457 15767 438 58694 81744 525303 18322 1095 1689 9 2159 29423 1026
32 comptox 66131 4375 5264 2948 2499 7396 16179 583 287759 180032 243797 528 28005 319128 1411 7753 1510 143862 705044 102797 14665 3711 230654 676 142698 211060 18322 706491 3545 3155 63 3970 16200 2297
33 lipidmaps 3509 404 701 361 177 2214 5462 52 28507 2997 6159 83 2148 7422 94 9483 107 6452 36764 1388 594 331 4703 552 2430 11077 1095 3545 36800 190 219 3427 3104 1926
34 drugcentral 3756 2308 857 1324 876 1342 3799 344 3610 2501 3441 269 3295 3804 1347 1598 637 3702 3834 1628 468 1655 3596 179 2172 3691 1689 3155 190 3881 6 471 1460 301
35 carotenoiddb 72 13 29 4 2 150 203 1 632 55 184 3 81 477 3 191 2 308 783 16 21 4 133 10 42 624 9 63 219 6 970 85 163 98
36 metabolights 7002 1132 1816 705 338 3936 14877 75 12923 4026 5530 166 3233 7004 252 5363 226 9379 14652 2360 1218 1128 5818 1099 3479 10923 2159 3970 3427 471 85 14880 4983 3513
37 brenda 46294 3672 6370 1922 1117 6478 12287 318 55327 17630 30558 465 8651 39117 927 6294 798 41688 75247 11919 4107 2213 18368 1102 14865 32262 29423 16200 3104 1460 163 4983 111015 4995
38 rhea 2208 924 1684 492 155 3441 6400 44 5055 2270 3469 126 1891 4252 173 2851 134 3516 6276 1323 798 333 3247 1032 1836 4937 1026 2297 1926 301 98 3513 4995 6400