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FIKHB Overlaps. last updated:17 MAY 2020

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 41             swisslipid 45             dailymed 46             clinicaltr
1 chembl 1850239 7979 14262 6085 4070 7281 31503 677 1433570 427129 264769 582 25321 487526 1508 8053 1762 455427 1825983 443587 8003 16979 67294 751 424042 227741 406796 70960 3713 3768 74 7329 51009 2535 21154 472 2347 4539
2 drugbank 7979 10373 5763 2445 1312 2292 5098 354 8766 4512 7471 364 6122 8850 1445 2459 953 8156 10231 2556 893 2273 5686 498 4849 7371 3450 5535 464 2930 14 1275 4165 1047 4022 157 1541 3725
3 pdb 14262 5763 29387 1858 700 2474 4874 195 22168 6892 10857 316 4036 15402 625 2274 613 11858 28405 5074 1539 1418 6042 658 7293 10766 6668 6195 759 933 33 1983 7256 1892 4283 314 694 1314
4 gtopdb 6085 2445 1858 7346 937 1325 2931 273 6010 3087 4704 285 3288 5985 1044 1496 807 5603 7262 1426 394 2106 2991 364 3805 4688 3504 3232 371 1377 5 728 2116 514 2437 151 1027 2004
5 pubchem_dotf 4070 1312 700 937 5588 618 1881 318 3603 2068 3061 134 2999 4565 481 646 744 4695 5543 818 186 971 3576 65 2334 3318 1342 2623 177 877 2 345 1169 173 1663 25 688 1031
6 kegg_ligand 7281 2292 2474 1325 618 13076 12668 283 10950 6048 7834 384 6280 9683 889 4453 512 8921 12906 3560 1813 1418 10260 990 5345 12102 2116 7832 2225 1342 150 3994 6671 3602 4640 321 947 1294
7 chebi 31503 5098 4874 2931 1881 12668 61037 578 47023 23540 19427 558 13638 26889 1469 10132 1382 26111 59563 16498 3447 20881 21316 1243 21577 30322 8213 17949 6018 3808 225 15380 13582 7256 10599 3169 1993 2746
8 nih_ncc 677 354 195 273 318 283 578 704 409 644 397 92 561 655 281 313 342 635 692 437 94 406 613 26 575 412 254 590 52 343 1 75 330 53 554 8 432 336
9 zinc 1433570 8766 22168 6010 3603 10950 47023 409 11502483 4516415 575537 548 31983 889762 1452 33954 1355 591385 10650660 5768145 19245 19450 178571 1172 6178354 447285 350940 294430 28610 3621 642 13269 60039 5508 69213 20836 1450 3759
10 emolecules 427129 4512 6892 3087 2068 6048 23540 644 4516415 5068286 198663 550 23113 301546 1259 7169 1625 138691 4965154 4413324 13557 12616 106441 705 4116430 142759 58686 184266 3017 2501 55 4172 19218 2491 60837 581 1859 2453
11 ibm 264769 7471 10857 4704 3061 7834 19427 397 575537 198663 7505114 505 28790 5635839 1442 10270 1230 996095 7056358 157620 16415 4754 120989 924 208451 340557 110036 250643 6233 3451 187 5754 32329 3818 59521 1063 1418 3665
12 atlas 582 364 316 285 134 384 558 92 548 550 505 667 485 600 229 327 156 572 626 354 177 336 544 73 484 544 292 550 83 270 3 168 474 137 453 16 237 305
14 fdasrs 25321 6122 4036 3288 2999 6280 13638 561 31983 23113 28790 485 55887 42660 1356 6454 1503 34529 55030 12333 5666 3059 36193 653 21893 35554 6481 34656 2290 3324 85 3550 9798 2172 18273 362 2086 4124
15 surechembl 487526 8850 15402 5985 4565 9683 26889 655 889762 301546 5635839 600 42660 18424024 1589 12676 1808 1387278 16805370 248421 18962 6037 167102 1121 321381 471418 240629 332830 7652 3821 489 7385 42577 4746 75926 1509 2275 4397
17 pharmgkb 1508 1445 625 1044 481 889 1469 281 1452 1259 1442 229 1356 1589 1613 1292 458 1505 1582 846 242 1065 1462 113 1151 1441 800 1442 93 1348 3 248 954 183 1136 22 995 1233
18 hmdb 8053 2459 2274 1496 646 4453 10132 313 33954 7169 10270 327 6454 12676 1292 96242 559 12076 95930 4155 2114 1475 9839 1382 6645 16792 2297 8392 9469 1613 192 5502 6557 3043 5294 19972 1094 1540
20 selleck 1762 953 613 807 744 512 1382 342 1355 1625 1230 156 1503 1808 458 559 1871 1752 1840 809 174 1017 1289 60 1791 1250 816 1553 107 641 2 227 850 151 1634 16 713 849
21 pubchem_tpharma 455427 8156 11858 5603 4695 8921 26111 635 591385 138691 996095 572 34529 1387278 1505 12076 1752 3572238 3523483 100554 20053 5172 94863 966 131694 765482 149153 149350 6562 3713 312 9653 43926 3908 46767 1138 2204 4165
22 pubchem 1825983 10231 28405 7262 5543 12906 59563 692 10650660 4965154 7056358 626 55030 16805370 1582 95930 1840 3523483 86653968 8246433 41434 21684 388344 1416 7262037 2868706 481016 717663 37431 3865 803 15211 83798 7112 84385 33886 2315 4497
23 mcule 443587 2556 5074 1426 818 3560 16498 437 5768145 4413324 157620 354 12333 248421 846 4155 809 100554 8246433 31612061 9969 10978 72835 402 5538789 100192 57009 104805 1393 1626 16 2424 13162 1452 29475 126 1058 1359
24 nmrshiftdb2 8003 893 1539 394 186 1813 3447 94 19245 13557 16415 177 5666 18962 242 2114 174 20053 41434 9969 41907 516 13174 221 12645 24714 2063 15257 608 469 21 1285 4337 880 9497 48 307 471
25 lincs 16979 2273 1418 2106 971 1418 20881 406 19450 12616 4754 336 3059 6037 1065 1475 1017 5172 21684 10978 516 21950 3551 153 11869 4563 5717 3847 331 1659 4 1135 2340 367 2704 66 1015 1797
26 actor 67294 5686 6042 2991 3576 10260 21316 613 178571 106441 120989 544 36193 167102 1462 9839 1289 94863 388344 72835 13174 3551 398782 1000 94024 160363 13298 241143 4724 3596 133 6037 19445 3561 45266 672 2011 3005
27 recon 751 498 658 364 65 990 1243 26 1172 705 924 73 653 1121 113 1382 60 966 1416 402 221 153 1000 1433 595 1208 315 735 551 179 10 1099 1114 1045 514 294 155 219
28 molport 424042 4849 7293 3805 2334 5345 21577 575 6178354 4116430 208451 484 21893 321381 1151 6645 1791 131694 7262037 5538789 12645 11869 94024 595 7396694 130517 56236 165823 2820 2324 56 4069 17771 2257 65984 485 1818 3038
29 nikkaji 227741 7371 10766 4688 3318 12102 30322 412 447285 142759 340557 544 35554 471418 1441 16792 1250 765482 2868706 100192 24714 4563 160363 1208 130517 3063751 66574 223504 11270 3699 639 11300 34680 5441 48342 1633 1642 3597
31 bindingdb 406796 3450 6668 3504 1342 2116 8213 254 350940 58686 110036 292 6481 240629 800 2297 816 149153 481016 57009 2063 5717 13298 315 56236 66574 486691 17294 752 1347 5 1465 22198 824 5961 124 810 1753
32 comptox 70960 5535 6195 3232 2623 7832 17949 590 294430 184266 250643 550 34656 332830 1442 8392 1553 149350 717663 104805 15257 3847 241143 735 165823 223504 17294 726939 3952 3265 77 4549 18260 2707 63792 477 1992 3162
33 lipidmaps 3713 464 759 371 177 2225 6018 52 28610 3017 6233 83 2290 7652 93 9469 107 6562 37431 1393 608 331 4724 551 2820 11270 752 3952 37678 190 219 3519 3294 2070 1894 12037 129 232
34 drugcentral 3768 2930 933 1377 877 1342 3808 343 3621 2501 3451 270 3324 3821 1348 1613 641 3713 3865 1626 469 1659 3596 179 2324 3699 1347 3265 190 3897 6 473 1521 319 2184 53 1381 2116
35 carotenoiddb 74 14 33 5 2 150 225 1 642 55 187 3 85 489 3 192 2 312 803 16 21 4 133 10 56 639 5 77 219 6 995 88 172 115 53 6 7 10
36 metabolights 7329 1275 1983 728 345 3994 15380 75 13269 4172 5754 168 3550 7385 248 5502 227 9653 15211 2424 1285 1135 6037 1099 4069 11300 1465 4549 3519 473 88 15385 5391 3854 2996 2046 342 565
37 brenda 51009 4165 7256 2116 1169 6671 13582 330 60039 19218 32329 474 9798 42577 954 6557 850 43926 83798 13162 4337 2340 19445 1114 17771 34680 22198 18260 3294 1521 172 5391 122923 5640 10325 1019 1093 1849
38 rhea 2535 1047 1892 514 173 3602 7256 53 5508 2491 3818 137 2172 4746 183 3043 151 3908 7112 1452 880 367 3561 1045 2257 5441 824 2707 2070 319 115 3854 5640 7256 1814 1309 256 407
39 chemicalbook 21154 4022 4283 2437 1663 4640 10599 554 69213 60837 59521 453 18273 75926 1136 5294 1634 46767 84385 29475 9497 2704 45266 514 65984 48342 5961 63792 1894 2184 53 2996 10325 1814 86031 247 1823 2637
41 swisslipids 472 157 314 151 25 321 3169 8 20836 581 1063 16 362 1509 22 19972 16 1138 33886 126 48 66 672 294 485 1633 124 477 12037 53 6 2046 1019 1309 247 408181 37 63
45 dailymed 2347 1541 694 1027 688 947 1993 432 1450 1859 1418 237 2086 2275 995 1094 713 2204 2315 1058 307 1015 2011 155 1818 1642 810 1992 129 1381 7 342 1093 256 1823 37 2347 1595
46 clinicaltrials 4539 3725 1314 2004 1031 1294 2746 336 3759 2453 3665 305 4124 4397 1233 1540 849 4165 4497 1359 471 1797 3005 219 3038 3597 1753 3162 232 2116 10 565 1849 407 2637 63 1595 4539