UNICHEM
UniChem
spacer

FULIK Overlaps. last updated:11 NOV 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 10886 5323 3762 6577 29084 652 1125068 409362 224915 566 22507 441336 1408 5757 1670 417352 1742944 406803 6918 16493 55925 278 413517 200157 519566 61505 2782 3719 69 6750 43938 1203 7743
2 drugbank 6240 9290 5481 2023 1132 1838 4172 303 7009 3460 5522 312 4569 6990 1267 2029 828 6427 8807 1804 581 1860 4103 180 3785 5939 3816 4043 339 2302 12 1179 3381 435 1773
3 pdb 10886 5481 26928 1373 547 1946 4240 130 20629 5217 8218 254 3729 12262 438 1645 497 9738 22464 3638 1139 1031 4379 231 5501 9159 7388 4664 539 718 26 1833 5718 732 1758
4 gtopdb 5323 2023 1373 6946 871 1175 2689 244 4766 2684 3858 255 2719 5350 917 1305 738 5035 6788 1119 266 1865 2553 152 3256 4156 4091 2704 323 1297 9 700 1818 217 995
5 pubchem_dotf 3762 1132 547 871 5646 532 1687 284 2849 1788 2468 121 2595 4305 402 533 681 4306 5442 625 124 844 3021 32 2120 3027 1615 2244 142 826 4 299 1012 80 878
6 kegg_ligand 6577 1838 1946 1175 532 14033 12626 236 8730 5223 6328 339 5652 9115 799 3442 445 7755 13548 2841 1496 1183 8853 344 4836 11385 2475 6629 1740 1221 136 3847 5949 1481 2156
7 chebi 29084 4172 4240 2689 1687 12626 90233 541 55358 20918 17235 527 12581 25967 1332 7814 1257 23188 86886 15386 3008 39304 18418 1096 19907 28538 9025 15185 5110 3774 211 20483 12774 7543 4651
8 nih_ncc 652 303 130 244 284 236 541 719 315 606 375 77 427 637 233 270 304 587 685 364 68 395 542 14 555 379 299 512 41 307 2 65 285 25 381
9 zinc 1125068 7009 20629 4766 2849 8730 55358 315 16886865 3219764 456293 459 32275 767350 1071 22911 1183 486031 14111889 4597704 15284 34186 141881 335 4455419 391067 378991 246432 20912 2752 532 11700 46623 2220 16850
10 emolecules 409362 3460 5217 2684 1788 5223 20918 606 3219764 5168336 188249 508 20427 293905 1102 5851 1534 127211 4965925 4190674 12887 11642 94952 304 3983973 131597 57235 175173 2302 2277 40 3594 16578 1263 17816
11 ibm 224915 5522 8218 3858 2468 6328 17235 375 456293 188249 7930403 428 24188 5503434 1295 7737 1078 882018 7309177 155740 14955 4544 105354 332 187924 297160 126760 237202 3806 3077 40 4682 26961 1533 16056
12 atlas 566 312 254 255 121 339 527 77 459 508 428 676 427 576 193 274 145 543 628 293 129 301 497 40 473 501 338 493 75 244 4 149 426 70 262
14 fdasrs 22507 4569 3729 2719 2595 5652 12581 427 32275 20427 24188 427 58184 40478 1039 4883 1296 31543 55698 10255 4973 2488 31205 284 18947 34723 6731 29737 2089 2904 91 3514 8751 1254 7386
15 surechembl 441336 6990 12262 5350 4305 9115 25967 637 767350 293905 5503434 576 40478 19809928 1561 10982 1758 1349508 17080337 231661 18035 6172 155565 438 295346 453525 228431 309462 7222 3774 390 7147 39020 2223 21402
17 pharmgkb 1408 1267 438 917 402 799 1332 233 1071 1102 1295 193 1039 1561 1638 1168 387 1363 1619 672 156 917 1289 62 1037 1287 930 1222 71 1170 2 218 815 87 639
18 hmdb 5757 2029 1645 1305 533 3442 7814 270 22911 5851 7737 274 4883 10982 1168 113638 468 8371 101381 3367 1763 1256 7540 443 5188 11359 2390 6006 6494 1451 87 4217 4715 1102 2048
20 selleck 1670 828 497 738 681 445 1257 304 1183 1534 1078 145 1296 1758 387 468 1890 1665 1800 633 116 917 1112 41 1782 1163 950 1359 89 597 2 200 728 84 953
21 pubchem_tpharma 417352 6427 9738 5035 4306 7755 23188 587 486031 127211 882018 543 31543 1349508 1363 8371 1665 3858588 3673870 86684 17784 4876 81519 379 117973 718273 187998 129481 4877 3517 231 8629 38298 1851 16049
22 pubchem 1742944 8807 22464 6788 5442 13548 86886 685 14111889 4965925 7309177 628 55698 17080337 1619 101381 1800 3673870 96250746 8914655 41343 41815 383456 1209 6957515 3057338 547401 709086 38026 3850 775 19863 76724 7194 22849
23 mcule 406803 1804 3638 1119 625 2841 15386 364 4597704 4190674 155740 293 10255 231661 672 3367 633 86684 8914655 32919693 9332 10223 62547 157 5445130 88366 54530 98150 883 1320 8 1927 10759 666 9269
24 nmrshiftdb2 6918 581 1139 266 124 1496 3008 68 15284 12887 14955 129 4973 18035 156 1763 116 17784 41343 9332 43339 397 11958 87 11764 22285 1949 13429 441 336 11 1034 3793 459 4348
25 lincs 16493 1860 1031 1865 844 1183 39304 395 34186 11642 4544 301 2488 6172 917 1256 917 4876 41815 10223 397 42694 3078 66 11359 4147 6082 3321 253 1484 5 1383 2032 146 1131
26 actor 55925 4103 4379 2553 3021 8853 18418 542 141881 94952 105354 497 31205 155565 1289 7540 1112 81519 383456 62547 11958 3078 411229 417 82039 144436 13225 212060 3414 3283 75 4870 15881 1609 14112
27 recon 278 180 231 152 32 344 1096 14 335 304 332 40 284 438 62 443 41 379 1209 157 87 66 417 1529 264 542 205 267 171 92 7 1025 476 904 144
28 molport 413517 3785 5501 3256 2120 4836 19907 555 4455419 3983973 187924 473 18947 295346 1037 5188 1782 117973 6957515 5445130 11764 11359 82039 264 7362276 118092 56346 150335 2118 2254 43 3692 15347 1235 18883
29 nikkaji 200157 5939 9159 4156 3027 11385 28538 379 391067 131597 297160 501 34723 453525 1287 11359 1163 718273 3057338 88366 22285 4147 144436 542 118092 3439411 73159 193840 8251 3539 544 10833 31390 2775 15370
31 bindingdb 519566 3816 7388 4091 1615 2475 9025 299 378991 57235 126760 338 6731 228431 930 2390 950 187998 547401 54530 1949 6082 13225 205 56346 73159 575310 16846 855 1576 10 2029 26948 564 2556
32 comptox 61505 4043 4664 2704 2244 6629 15185 512 246432 175173 237202 493 29737 309462 1222 6006 1359 129481 709086 98150 13429 3321 212060 267 150335 193840 16846 719884 2603 2943 48 3553 14495 1202 16220
33 lipidmaps 2782 339 539 323 142 1740 5110 41 20912 2302 3806 75 2089 7222 71 6494 89 4877 38026 883 441 253 3414 171 2118 8251 855 2603 40855 163 209 3113 2444 841 548
34 drugcentral 3719 2302 718 1297 826 1221 3774 307 2752 2277 3077 244 2904 3774 1170 1451 597 3517 3850 1320 336 1484 3283 92 2254 3539 1576 2943 163 3975 8 448 1347 164 1226
35 carotenoiddb 69 12 26 9 4 136 211 2 532 40 40 4 91 390 2 87 2 231 775 8 11 5 75 7 43 544 10 48 209 8 1169 90 150 101 16
36 metabolights 6750 1179 1833 700 299 3847 20483 65 11700 3594 4682 149 3514 7147 218 4217 200 8629 19863 1927 1034 1383 4870 1025 3692 10833 2029 3553 3113 448 90 20488 5292 4037 1325
37 brenda 43938 3381 5718 1818 1012 5949 12774 285 46623 16578 26961 426 8751 39020 815 4715 728 38298 76724 10759 3793 2032 15881 476 15347 31390 26948 14495 2444 1347 150 5292 127121 2583 4361
38 rhea 1203 435 732 217 80 1481 7543 25 2220 1263 1533 70 1254 2223 87 1102 84 1851 7194 666 459 146 1609 904 1235 2775 564 1202 841 164 101 4037 2583 7547 584
39 chemicalbook 7743 1773 1758 995 878 2156 4651 381 16850 17816 16056 262 7386 21402 639 2048 953 16049 22849 9269 4348 1131 14112 144 18883 15370 2556 16220 548 1226 16 1325 4361 584 23628