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FIKHB Overlaps. last updated:08 MAY 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 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 39             chemicalbo 40             dailymed_o 41             swisslipid 45             dailymed 46             clinicaltr 47             rxnorm
1 chembl 1970231 8361 15971 6809 4122 7351 32667 688 1463587 445167 269908 582 26302 516528 1511 8180 1779 460462 1944610 468861 8210 17052 68619 766 456506 231519 460949 73213 3980 3846 78 7501 53147 2739 25677 2169 489 2388 4548 4365
2 drugbank 8361 10772 5846 2732 1341 2338 5254 354 8986 4638 7682 367 6517 9234 1444 2492 963 8457 10626 2617 933 2300 5861 502 5079 7586 3819 5693 489 3045 16 1319 4265 1095 4667 1380 160 1578 3869 3146
3 pdb 15971 5846 31909 2080 737 2532 5112 205 22948 7429 11410 324 4283 16534 643 2318 643 12254 30588 5585 1605 1503 6336 653 8229 11201 7905 6569 803 993 37 2039 7543 1973 5072 642 330 723 1379 1314
4 gtopdb 6809 2732 2080 8143 1014 1423 3147 294 6363 3251 4985 292 3633 6470 1127 1586 844 6024 7973 1505 412 2216 3229 368 4179 5050 3953 3446 381 1562 5 773 2306 549 3119 1006 151 1132 2184 1584
5 pubchem_dotf 4122 1341 737 1014 5588 618 1901 318 3603 2068 3061 134 3017 4571 481 646 744 4695 5543 818 188 973 3576 65 2273 3318 1460 2623 180 890 2 348 1170 180 1852 664 25 691 1036 763
6 kegg_ligand 7351 2338 2532 1423 618 13076 12677 283 10950 6048 7834 384 6311 9726 889 4453 512 8921 12908 3560 1817 1420 10260 990 5590 12102 2373 7832 2245 1344 150 4027 6687 3649 5021 875 322 955 1296 1809
7 chebi 32667 5254 5112 3147 1901 12677 75250 578 48929 24190 20585 558 14166 28680 1472 10620 1392 28565 73761 16820 3603 20888 22139 1263 22576 32323 9106 18918 6919 3826 237 15617 14697 7697 11991 1866 3202 2006 2765 3890
8 nih_ncc 688 354 205 294 318 283 578 704 409 644 397 92 563 656 281 313 342 635 692 437 94 406 613 26 577 412 258 590 52 343 1 75 329 56 570 424 8 433 337 359
9 zinc 1463587 8986 22948 6363 3603 10950 48929 409 11502483 4516415 575537 548 32843 897167 1452 33954 1355 591385 10651655 5768145 19467 19486 178571 1172 6175809 447285 375911 294430 29144 3674 642 13432 61063 5757 85636 1286 20839 1478 3768 4115
10 emolecules 445167 4638 7429 3251 2068 6048 24190 644 4516415 5068286 198663 550 23492 304858 1259 7169 1625 138691 4964836 4413324 13713 12629 106441 705 4091619 142759 61527 184266 3054 2512 56 4251 19515 2624 70721 1778 581 1875 2459 4046
11 ibm 269908 7682 11410 4985 3061 7834 20585 397 575537 198663 7505114 505 29604 5637769 1442 10270 1230 996095 7056582 157620 16759 4771 120989 924 217967 340557 119034 250643 6333 3491 188 5880 32618 4003 71241 1270 1064 1443 3677 4072
12 atlas 582 367 324 292 134 384 558 92 548 550 505 667 489 600 229 327 156 572 626 354 179 338 544 73 493 544 315 550 83 270 3 168 476 140 468 226 16 238 305 316
14 fdasrs 26302 6517 4283 3633 3017 6311 14166 563 32843 23492 29604 489 58054 43950 1364 6525 1510 35315 57155 12525 5755 3095 36915 657 22596 36544 7325 35410 2348 3410 89 3692 9971 2294 20332 1930 371 2123 4146 5400
15 surechembl 516528 9234 16534 6470 4571 9726 28680 656 897167 304858 5637769 600 43950 19145974 1589 12755 1810 1389552 17691389 252079 19416 6126 167774 1122 342564 475085 297110 334482 7925 3893 492 7587 43545 4997 93479 2118 1528 2319 4414 5781
17 pharmgkb 1511 1444 643 1127 481 889 1472 281 1452 1259 1442 229 1364 1589 1613 1292 458 1505 1582 846 245 1069 1462 113 1152 1441 847 1442 93 1351 3 248 963 185 1205 943 22 995 1235 1338
18 hmdb 8180 2492 2318 1586 646 4453 10620 313 33954 7169 10270 327 6525 12755 1292 96242 559 12076 95933 4155 2119 1478 9839 1382 7056 16792 2559 8392 9502 1614 192 5578 6586 3142 5764 1003 19971 1100 1541 2233
20 selleck 1779 963 643 844 744 512 1392 342 1355 1625 1230 156 1510 1810 458 559 1871 1752 1840 809 174 1023 1289 60 1796 1250 872 1553 108 652 2 228 855 154 1687 685 16 717 852 717
21 pubchem_tpharma 460462 8457 12254 6024 4695 8921 28565 635 591385 138691 996095 572 35315 1389552 1505 12076 1752 3572238 3523452 100554 20311 5198 94863 966 136901 765482 163086 149350 6889 3768 313 9811 44482 4131 53895 2065 1139 2240 4177 5396
22 pubchem 1944610 10626 30588 7973 5543 12908 73761 692 10651655 4964836 7056582 626 57155 17691389 1582 95933 1840 3523452 92738456 8102168 41977 21728 388382 1415 7455173 2868845 575112 717674 38419 3933 807 15450 86241 7545 106417 2153 33934 2356 4512 6234
23 mcule 468861 2617 5585 1505 818 3560 16820 437 5768145 4413324 157620 354 12525 252079 846 4155 809 100554 8102168 31612061 9999 10985 72835 402 5470113 100192 59797 104805 1412 1630 17 2462 13431 1523 33647 993 125 1070 1357 2278
24 nmrshiftdb2 8210 933 1605 412 188 1817 3603 94 19467 13713 16759 179 5755 19416 245 2119 174 20311 41977 9999 42533 516 13350 221 13068 25061 2230 15516 623 475 21 1322 4366 922 10159 281 48 315 476 936
25 lincs 17052 2300 1503 2216 973 1420 20888 406 19486 12629 4771 338 3095 6126 1069 1478 1023 5198 21728 10985 516 21995 3556 153 11931 4581 5935 3859 332 1677 4 1145 2365 378 3033 947 68 1020 1807 1642
26 actor 68619 5861 6336 3229 3576 10260 22139 613 178571 106441 120989 544 36915 167774 1462 9839 1289 94863 388382 72835 13350 3556 398782 1000 96274 160363 14483 241143 4788 3608 134 6160 19573 3726 50749 1893 672 2029 3012 5144
27 recon 766 502 653 368 65 990 1263 26 1172 705 924 73 657 1122 113 1382 60 966 1415 402 221 153 1000 1433 603 1208 341 735 551 179 10 1110 1115 1057 549 125 293 157 219 283
28 molport 456506 5079 8229 4179 2273 5590 22576 577 6175809 4091619 217967 493 22596 342564 1152 7056 1796 136901 7455173 5470113 13068 11931 96274 603 7667070 137534 59696 171828 3155 2363 60 4391 18640 2485 82177 1735 604 1870 3050 3701
29 nikkaji 231519 7586 11201 5050 3318 12102 32323 412 447285 142759 340557 544 36544 475085 1441 16792 1250 765482 2868845 100192 25061 4581 160363 1208 137534 3063751 72147 223504 11769 3744 640 11494 35036 5736 56708 1480 1635 1670 3606 4844
31 bindingdb 460949 3819 7905 3953 1460 2373 9106 258 375911 61527 119034 315 7325 297110 847 2559 872 163086 575112 59797 2230 5935 14483 341 59696 72147 583320 18759 924 1468 7 1766 24972 953 7773 786 139 878 1933 1591
32 comptox 73213 5693 6569 3446 2623 7832 18918 590 294430 184266 250643 550 35410 334482 1442 8392 1553 149350 717674 104805 15516 3859 241143 735 171828 223504 18759 726939 4008 3294 77 4658 18396 2846 75455 1859 476 2017 3172 4987
33 lipidmaps 3980 489 803 381 180 2245 6919 52 29144 3054 6333 83 2348 7925 93 9502 108 6889 38419 1412 623 332 4788 551 3155 11769 924 4008 39195 192 217 3760 3343 2166 2120 106 12088 131 234 502
34 drugcentral 3846 3045 993 1562 890 1344 3826 343 3674 2512 3491 270 3410 3893 1351 1614 652 3768 3933 1630 475 1677 3608 179 2363 3744 1468 3294 192 3967 6 477 1544 323 2430 1305 54 1444 2184 2545
35 carotenoiddb 78 16 37 5 2 150 237 1 642 56 188 3 89 492 3 192 2 313 807 17 21 4 134 10 60 640 7 77 217 6 998 89 172 116 58 3 6 7 10 14
36 metabolights 7501 1319 2039 773 348 4027 15617 75 13432 4251 5880 168 3692 7587 248 5578 228 9811 15450 2462 1322 1145 6160 1110 4391 11494 1766 4658 3760 477 89 15642 5494 4024 3353 284 2055 347 573 884
37 brenda 53147 4265 7543 2306 1170 6687 14697 329 61063 19515 32618 476 9971 43545 963 6586 855 44482 86241 13431 4366 2365 19573 1115 18640 35036 24972 18396 3343 1544 172 5494 123279 5852 11436 1003 1017 1113 1867 2358
38 rhea 2739 1095 1973 549 180 3649 7697 56 5757 2624 4003 140 2294 4997 185 3142 154 4131 7545 1523 922 378 3726 1057 2485 5736 953 2846 2166 323 116 4024 5852 7698 2047 214 1331 261 413 687
39 chemicalbook 25677 4667 5072 3119 1852 5021 11991 570 85636 70721 71241 468 20332 93479 1205 5764 1687 53895 106417 33647 10159 3033 50749 549 82177 56708 7773 75455 2120 2430 58 3353 11436 2047 108751 1789 272 1923 2959 4037
40 dailymed_old 2169 1380 642 1006 664 875 1866 424 1286 1778 1270 226 1930 2118 943 1003 685 2065 2153 993 281 947 1893 125 1735 1480 786 1859 106 1305 3 284 1003 214 1789 2181 30 2074 1405 1522
41 swisslipids 489 160 330 151 25 322 3202 8 20839 581 1064 16 371 1528 22 19971 16 1139 33934 125 48 68 672 293 604 1635 139 476 12088 54 6 2055 1017 1331 272 30 408189 37 64 137
45 dailymed 2388 1578 723 1132 691 955 2006 433 1478 1875 1443 238 2123 2319 995 1100 717 2240 2356 1070 315 1020 2029 157 1870 1670 878 2017 131 1444 7 347 1113 261 1923 2074 37 2388 1629 1764
46 clinicaltrials 4548 3869 1379 2184 1036 1296 2765 337 3768 2459 3677 305 4146 4414 1235 1541 852 4177 4512 1357 476 1807 3012 219 3050 3606 1933 3172 234 2184 10 573 1867 413 2959 1405 64 1629 4555 2313
47 rxnorm 4365 3146 1314 1584 763 1809 3890 359 4115 4046 4072 316 5400 5781 1338 2233 717 5396 6234 2278 936 1642 5144 283 3701 4844 1591 4987 502 2545 14 884 2358 687 4037 1522 137 1764 2313 6322