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FULIK Overlaps. last updated:14 JAN 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
1 chembl 1726364 5751 10236 5103 3717 6549 28763 650 1126611 408129 213559 566 20166 383151 1401 5779 1657 405804 1654613 405482 6879 15844 55586 277 411946 194783 472085 61069 2749 3679 67 6600 40860 1147
2 drugbank 5751 8745 5388 1869 1020 1759 3881 300 6655 3242 5159 304 4075 6491 1254 2012 785 5943 8275 1707 544 1405 3772 173 2539 5435 3588 3740 312 2117 10 1116 3127 403
3 pdb 10236 5388 24832 1286 526 1895 4065 127 19968 4850 7851 250 3309 11415 427 1622 482 9386 20817 3308 1102 843 4161 228 4525 8470 6843 4406 523 692 22 1761 5270 686
4 gtopdb 5103 1869 1286 6626 850 1163 2618 242 4618 2638 3754 251 2512 5090 905 1306 726 4885 6483 1094 264 1552 2512 152 2412 3922 3915 2652 319 1270 8 686 1705 215
5 pubchem_dotf 3717 1020 526 850 5646 532 1677 284 2849 1788 2468 121 2477 4301 401 546 681 4306 5442 625 124 652 3021 32 1688 3011 1605 2244 142 825 3 296 975 78
6 kegg_ligand 6549 1759 1895 1163 532 14033 12611 236 8730 5223 6328 339 5453 9058 799 3489 445 7755 13547 2841 1494 1107 8853 344 3962 11373 2440 6629 1731 1221 136 3815 5817 1442
7 chebi 28763 3881 4065 2618 1677 12611 88541 541 55009 20787 17038 528 11986 25508 1332 7913 1254 22892 85251 15323 2976 39045 18261 1087 18154 27937 8888 15043 5052 3777 206 19786 12143 7194
8 nih_ncc 650 300 127 242 284 236 541 719 315 606 375 77 425 637 234 269 304 587 685 364 68 395 542 14 408 379 299 512 41 308 1 65 280 23
9 zinc 1126611 6655 19968 4618 2849 8730 55009 315 16886865 3219764 456293 459 27854 760361 1068 22922 1183 486031 14106979 4597704 15280 33484 141881 335 4470281 383136 368723 246432 20847 2745 523 11482 43503 2133
10 emolecules 408129 3242 4850 2638 1788 5223 20787 606 3219764 5168336 188249 508 18298 290483 1100 5929 1534 127211 4951932 4190674 12884 11316 94952 304 3999896 128878 56325 175173 2292 2276 39 3522 15706 1217
11 ibm 213559 5159 7851 3754 2468 6328 17038 375 456293 188249 7930403 428 21026 5500756 1294 7748 1078 882018 7309116 155740 14952 3969 105354 332 177306 292309 125350 237202 3784 3070 39 4579 25999 1477
12 atlas 566 304 250 251 121 339 528 77 459 508 428 676 421 574 193 278 145 543 628 293 129 291 497 40 335 499 336 493 75 244 3 148 413 67
14 fdasrs 20166 4075 3309 2512 2477 5453 11986 425 27854 18298 21026 421 50499 35790 1038 4772 1278 28589 48510 8820 4470 1935 26951 273 14791 30430 5996 25642 1980 2896 89 3242 7919 1148
15 surechembl 383151 6491 11415 5090 4301 9058 25508 637 760361 290483 5500756 574 35790 19028705 1556 11024 1756 1347109 16334165 228057 17971 5464 154879 437 274881 439326 212702 307814 7125 3760 380 6920 36801 2124
17 pharmgkb 1401 1254 427 905 401 799 1332 234 1068 1100 1294 193 1038 1556 1633 1200 387 1359 1614 672 156 823 1289 62 314 1279 929 1219 71 1169 2 219 790 84
18 hmdb 5779 2012 1622 1306 546 3489 7913 269 22922 5929 7748 278 4772 11024 1200 113914 476 8477 101691 3390 1783 1154 7654 539 4290 11368 2376 6050 6526 1441 96 4284 4655 1192
20 selleck 1657 785 482 726 681 445 1254 304 1183 1534 1078 145 1278 1756 387 476 1890 1665 1800 633 116 770 1112 41 1550 1147 936 1359 89 593 2 200 694 80
21 pubchem_tpharma 405804 5943 9386 4885 4306 7755 22892 587 486031 127211 882018 543 28589 1347109 1359 8477 1665 3858588 3673860 86684 17776 4283 81519 379 111090 714364 185794 129481 4839 3506 226 8447 36697 1768
22 pubchem 1654613 8275 20817 6483 5442 13547 85251 685 14106979 4951932 7309116 628 48510 16334165 1614 101691 1800 3673860 93905744 8892402 41330 41063 383575 1219 6774211 2914235 521629 709097 37553 3834 750 19177 72020 6864
23 mcule 405482 1707 3308 1094 625 2841 15323 364 4597704 4190674 155740 293 8820 228057 672 3390 633 86684 8892402 32919693 9329 10077 62547 157 5459140 85966 53665 98150 877 1322 8 1885 10124 638
24 nmrshiftdb2 6879 544 1102 264 124 1494 2976 68 15280 12884 14952 129 4470 17971 156 1783 116 17776 41330 9329 43319 375 11957 87 11304 22220 1891 13428 439 336 11 1014 3676 445
25 lincs 15844 1405 843 1552 652 1107 39045 395 33484 11316 3969 291 1935 5464 823 1154 770 4283 41063 10077 375 41802 2755 56 10288 3597 5682 2917 237 1278 4 1332 1745 121
26 actor 55586 3772 4161 2512 3021 8853 18261 542 141881 94952 105354 497 26951 154879 1289 7654 1112 81519 383575 62547 11957 2755 411229 417 78404 143708 12969 212060 3391 3283 74 4785 15329 1554
27 recon 277 173 228 152 32 344 1087 14 335 304 332 40 273 437 62 539 41 379 1219 157 87 56 417 1529 200 539 206 267 172 92 7 1022 471 900
28 molport 411946 2539 4525 2412 1688 3962 18154 408 4470281 3999896 177306 335 14791 274881 314 4290 1550 111090 6774211 5459140 11304 10288 78404 200 7100670 107516 54075 139653 1824 1440 37 3142 13234 1018
29 nikkaji 194783 5435 8470 3922 3011 11373 27937 379 383136 128878 292309 499 30430 439326 1279 11368 1147 714364 2914235 85966 22220 3597 143708 539 107516 3275647 71383 191730 8116 3516 530 10524 29683 2640
31 bindingdb 472085 3588 6843 3915 1605 2440 8888 299 368723 56325 125350 336 5996 212702 929 2376 936 185794 521629 53665 1891 5682 12969 206 54075 71383 548783 16485 844 1560 9 1982 25077 538
32 comptox 61069 3740 4406 2652 2244 6629 15043 512 246432 175173 237202 493 25642 307814 1219 6050 1359 129481 709097 98150 13428 2917 212060 267 139653 191730 16485 719884 2574 2936 47 3482 13877 1155
33 lipidmaps 2749 312 523 319 142 1731 5052 41 20847 2292 3784 75 1980 7125 71 6526 89 4839 37553 877 439 237 3391 172 1824 8116 844 2574 40363 163 208 3059 2332 814
34 drugcentral 3679 2117 692 1270 825 1221 3777 308 2745 2276 3070 244 2896 3760 1169 1441 593 3506 3834 1322 336 1278 3283 92 1440 3516 1560 2936 163 3959 7 448 1301 155
35 carotenoiddb 67 10 22 8 3 136 206 1 523 39 39 3 89 380 2 96 2 226 750 8 11 4 74 7 37 530 9 47 208 7 1143 80 141 92
36 metabolights 6600 1116 1761 686 296 3815 19786 65 11482 3522 4579 148 3242 6920 219 4284 200 8447 19177 1885 1014 1332 4785 1022 3142 10524 1982 3482 3059 448 80 19789 5036 3816
37 brenda 40860 3127 5270 1705 975 5817 12143 280 43503 15706 25999 413 7919 36801 790 4655 694 36697 72020 10124 3676 1745 15329 471 13234 29683 25077 13877 2332 1301 141 5036 119395 2434
38 rhea 1147 403 686 215 78 1442 7194 23 2133 1217 1477 67 1148 2124 84 1192 80 1768 6864 638 445 121 1554 900 1018 2640 538 1155 814 155 92 3816 2434 7194