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FULIK Overlaps. last updated:30 JUL 2017

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
1 chembl 1726364 5585 10066 5079 3717 6549 28662 650 1103331 408129 213559 566 20166 381265 1314 5249 1657 405804 1654613 405482 6877 15844 55586 277 425422 194783 471805 61069 2730 3666 65 6576 40860
2 drugbank 5585 8531 5318 1823 998 1709 3725 297 6562 3106 5055 295 3898 6286 1310 1936 767 5769 7955 1659 521 1366 3629 168 2058 5281 3510 3604 301 2007 6 1083 3058
3 pdb 10066 5318 23845 1238 518 1874 3968 126 19791 4718 7669 248 3238 10983 391 1523 473 9196 19913 3216 1084 829 4081 226 4090 8319 6706 4313 512 679 21 1741 5204
4 gtopdb 5079 1823 1238 6572 850 1160 2596 242 4586 2632 3733 250 2493 5026 870 1271 725 4859 6430 1092 262 1548 2506 152 1568 3904 3894 2644 318 1263 8 677 1698
5 pubchem_dotf 3717 998 518 850 5646 532 1672 284 2854 1788 2468 121 2477 4294 376 529 681 4306 5441 625 124 652 3021 32 1292 3011 1599 2244 142 822 3 294 975
6 kegg_ligand 6549 1709 1874 1160 532 14033 12614 236 8829 5223 6328 339 5453 9027 802 3307 445 7755 13546 2841 1495 1107 8853 344 3274 11373 2415 6629 1737 1221 136 3798 5817
7 chebi 28662 3725 3968 2596 1672 12614 87644 541 55136 20695 16946 525 11927 25180 1303 7278 1254 22716 84362 15289 2958 39043 18168 1083 15963 27682 8816 14956 4995 3775 198 19535 12031
8 nih_ncc 650 297 126 242 284 236 541 719 316 606 375 77 425 637 241 265 304 587 685 364 68 395 542 14 361 379 296 512 41 308 1 64 280
9 zinc 1103331 6562 19791 4586 2854 8829 55136 316 18455480 3267647 459113 460 28003 754463 997 11143 1184 484860 13937308 4659751 15357 33727 143532 338 4248034 385712 362727 249269 20889 2733 518 11502 43945
10 emolecules 408129 3106 4718 2632 1788 5223 20695 606 3267647 5168336 188249 508 18298 287934 1053 5460 1534 127211 4949084 4190674 12881 11316 94952 304 4256583 128878 56184 175173 2288 2274 40 3501 15706
11 ibm 213559 5055 7669 3733 2468 6328 16946 375 459113 188249 7930403 428 21026 5498184 1162 6836 1078 882018 7308929 155740 14951 3969 105354 332 289546 292309 123869 237202 3749 3061 39 4566 25999
12 atlas 566 295 248 250 121 339 525 77 460 508 428 676 421 574 200 273 145 543 628 293 129 291 497 40 292 499 334 493 75 244 3 148 413
14 fdasrs 20166 3898 3238 2493 2477 5453 11927 425 28003 18298 21026 421 50499 35714 1005 4526 1278 28589 48475 8820 4470 1935 26951 273 12832 30430 5949 25642 1972 2882 89 3228 7919
15 surechembl 381265 6286 10983 5026 4294 9027 25180 637 754463 287934 5498184 574 35714 18403685 1387 9739 1751 1344667 15727173 225159 17907 5429 154333 434 461184 435948 203353 306568 7035 3741 380 6840 36609
17 pharmgkb 1314 1310 391 870 376 802 1303 241 997 1053 1162 200 1005 1387 1441 1343 368 1289 1389 638 153 799 1224 61 291 1221 874 1192 80 1179 3 227 774
18 hmdb 5249 1936 1523 1271 529 3307 7278 265 11143 5460 6836 273 4526 9739 1343 41798 468 7669 19136 3074 1663 1121 7088 476 3435 10196 2172 5511 4548 1404 91 3811 4213
20 selleck 1657 767 473 725 681 445 1254 304 1184 1534 1078 145 1278 1751 368 468 1890 1665 1802 633 116 770 1112 41 1502 1147 931 1359 89 591 2 199 694
21 pubchem_tpharma 405804 5769 9196 4859 4306 7755 22716 587 484860 127211 882018 543 28589 1344667 1289 7669 1665 3858588 3673843 86684 17774 4283 81519 379 137152 714364 184330 129481 4807 3494 227 8406 36697
22 pubchem 1654613 7955 19913 6430 5441 13546 84362 685 13937308 4949084 7308929 628 48475 15727173 1389 19136 1802 3673843 93257508 8902111 41294 41063 383657 1212 22035909 2913792 511588 709079 37389 3817 736 18970 71186
23 mcule 405482 1659 3216 1092 625 2841 15289 364 4659751 4190674 155740 293 8820 225159 638 3074 633 86684 8902111 32919693 9327 10077 62547 157 6263075 85966 53533 98150 874 1322 8 1881 10124
24 nmrshiftdb2 6877 521 1084 262 124 1495 2958 68 15357 12881 14951 129 4470 17907 153 1663 116 17774 41294 9327 43311 376 11954 87 11668 22218 1866 13425 439 336 11 1012 3676
25 lincs 15844 1366 829 1548 652 1107 39043 395 33727 11316 3969 291 1935 5429 799 1121 770 4283 41063 10077 376 41802 2755 56 9980 3597 5665 2917 237 1275 4 1329 1745
26 actor 55586 3629 4081 2506 3021 8853 18168 542 143532 94952 105354 497 26951 154333 1224 7088 1112 81519 383657 62547 11954 2755 411229 417 84056 143708 12876 212060 3375 3278 73 4759 15329
27 recon 277 168 226 152 32 344 1083 14 338 304 332 40 273 434 61 476 41 379 1212 157 87 56 417 1529 182 539 205 267 172 92 7 1019 471
28 molport 425422 2058 4090 1568 1292 3274 15963 361 4248034 4256583 289546 292 12832 461184 291 3435 1502 137152 22035909 6263075 11668 9980 84056 182 22381196 139941 55618 192812 1099 1353 21 2341 13518
29 nikkaji 194783 5281 8319 3904 3011 11373 27682 379 385712 128878 292309 499 30430 435948 1221 10196 1147 714364 2913792 85966 22218 3597 143708 539 139941 3275647 71225 191730 8050 3507 526 10450 29683
31 bindingdb 471805 3510 6706 3894 1599 2415 8816 296 362727 56184 123869 334 5949 203353 874 2172 931 184330 511588 53533 1866 5665 12876 205 55618 71225 538351 16401 829 1540 9 1956 25007
32 comptox 61069 3604 4313 2644 2244 6629 14956 512 249269 175173 237202 493 25642 306568 1192 5511 1359 129481 709079 98150 13425 2917 212060 267 192812 191730 16401 719884 2555 2933 47 3466 13877
33 lipidmaps 2730 301 512 318 142 1737 4995 41 20889 2288 3749 75 1972 7035 80 4548 89 4807 37389 874 439 237 3375 172 1099 8050 829 2555 40213 164 206 3017 2332
34 drugcentral 3666 2007 679 1263 822 1221 3775 308 2733 2274 3061 244 2882 3741 1179 1404 591 3494 3817 1322 336 1275 3278 92 1353 3507 1540 2933 164 3943 7 447 1298
35 carotenoiddb 65 6 21 8 3 136 198 1 518 40 39 3 89 380 3 91 2 227 736 8 11 4 73 7 21 526 9 47 206 7 1138 77 141
36 metabolights 6576 1083 1741 677 294 3798 19535 64 11502 3501 4566 148 3228 6840 227 3811 199 8406 18970 1881 1012 1329 4759 1019 2341 10450 1956 3466 3017 447 77 19588 5001
37 brenda 40860 3058 5204 1698 975 5817 12031 280 43945 15706 25999 413 7919 36609 774 4213 694 36697 71186 10124 3676 1745 15329 471 13518 29683 25007 13877 2332 1298 141 5001 119395