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FULIK Overlaps. last updated:15 APR 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 6033 10339 5135 3717 6549 28818 650 1126611 408129 213559 566 20699 383619 1400 5781 1657 405804 1654614 405482 6879 16466 55586 277 411634 198444 472085 61069 2752 3679 67 6667 42302 1165
2 drugbank 6033 9093 5441 1950 1114 1798 4031 302 6897 3364 5400 312 4374 6811 1261 2030 819 6260 8614 1747 557 1827 3984 176 3310 5778 3704 3930 325 2206 11 1138 3225 411
3 pdb 10339 5441 25487 1305 535 1912 4117 128 20172 4968 7964 251 3411 11659 429 1635 485 9493 21297 3406 1110 1000 4226 230 4910 8884 6888 4486 524 698 24 1789 5438 703
4 gtopdb 5135 1950 1305 6686 853 1165 2629 243 4652 2650 3776 251 2577 5140 905 1310 729 4911 6541 1100 264 1835 2520 152 2899 4074 3929 2662 319 1274 8 690 1737 215
5 pubchem_dotf 3717 1114 535 853 5646 532 1680 284 2849 1788 2468 121 2532 4303 401 546 681 4306 5442 625 124 844 3021 32 1877 3027 1605 2244 142 825 3 298 983 80
6 kegg_ligand 6549 1798 1912 1165 532 14033 12618 236 8730 5223 6328 339 5488 9075 799 3491 445 7755 13547 2841 1494 1183 8853 344 4435 11385 2440 6629 1732 1221 136 3831 5876 1452
7 chebi 28818 4031 4117 2629 1680 12618 89351 541 55088 20819 17069 528 12057 25632 1332 7928 1254 22966 85969 15340 2982 39295 18296 1087 18792 28251 8895 15068 5073 3773 208 20304 12371 7274
8 nih_ncc 650 302 128 243 284 236 541 719 315 606 375 77 426 637 234 269 304 587 685 364 68 395 542 14 553 379 299 512 41 308 1 65 280 23
9 zinc 1126611 6897 20172 4652 2849 8730 55088 315 16886865 3219764 456293 459 28782 762309 1067 22931 1183 486031 14107203 4597704 15280 34186 141881 335 4462715 391067 368723 246432 20856 2745 523 11610 44902 2161
10 emolecules 408129 3364 4968 2650 1788 5223 20819 606 3219764 5168336 188249 508 18679 291329 1100 5923 1534 127211 4952944 4190674 12884 11642 94952 304 3995848 131597 56325 175173 2293 2276 39 3565 16065 1234
11 ibm 213559 5400 7964 3776 2468 6328 17069 375 456293 188249 7930403 428 21663 5501592 1293 7743 1078 882018 7309119 155740 14952 4544 105354 332 176092 297160 125350 237202 3788 3070 39 4632 26337 1495
12 atlas 566 312 251 251 121 339 528 77 459 508 428 676 423 574 193 278 145 543 628 293 129 301 497 40 460 501 336 493 75 244 3 149 415 67
14 fdasrs 20699 4374 3411 2577 2532 5488 12057 426 28782 18679 21663 423 52725 37078 1035 4797 1295 29459 50437 8999 4533 2445 27833 273 15777 31578 6191 26375 1998 2895 90 3295 8067 1168
15 surechembl 383619 6811 11659 5140 4303 9075 25632 637 762309 291329 5501592 574 37078 19288613 1555 11042 1757 1347840 16637100 228985 17986 6150 155097 437 274386 450816 212812 308310 7152 3760 381 7048 37698 2160
17 pharmgkb 1400 1261 429 905 401 799 1332 234 1067 1100 1293 193 1035 1555 1632 1198 387 1358 1613 672 156 917 1288 62 972 1283 928 1219 71 1169 2 219 794 84
18 hmdb 5781 2030 1635 1310 546 3491 7928 269 22931 5923 7743 278 4797 11042 1198 113916 476 8470 101695 3387 1781 1257 7648 536 4861 11430 2378 6051 6528 1441 96 4318 4688 1200
20 selleck 1657 819 485 729 681 445 1254 304 1183 1534 1078 145 1295 1757 387 476 1890 1665 1801 633 116 917 1112 41 1793 1163 936 1359 89 593 2 200 697 82
21 pubchem_tpharma 405804 6260 9493 4911 4306 7755 22966 587 486031 127211 882018 543 29459 1347840 1358 8470 1665 3858588 3673863 86684 17776 4876 81519 379 111342 718273 185794 129481 4852 3506 226 8568 37439 1794
22 pubchem 1654614 8614 21297 6541 5442 13547 85969 685 14107203 4952944 7309119 628 50437 16637100 1613 101695 1801 3673863 94407972 8910924 41330 41808 383577 1219 6922514 2935540 521634 709099 37610 3834 750 19632 74105 6932
23 mcule 405482 1747 3406 1100 625 2841 15340 364 4597704 4190674 155740 293 8999 228985 672 3387 633 86684 8910924 32919693 9329 10223 62547 157 5461352 88366 53665 98150 879 1322 8 1909 10395 648
24 nmrshiftdb2 6879 557 1110 264 124 1494 2982 68 15280 12884 14952 129 4533 17986 156 1781 116 17776 41330 9329 43319 396 11957 87 11394 22281 1891 13428 439 336 11 1024 3704 453
25 lincs 16466 1827 1000 1835 844 1183 39295 395 34186 11642 4544 301 2445 6150 917 1257 917 4876 41808 10223 396 42694 3078 66 11202 4147 6040 3321 253 1480 4 1380 1967 141
26 actor 55586 3984 4226 2520 3021 8853 18296 542 141881 94952 105354 497 27833 155097 1288 7648 1112 81519 383577 62547 11957 3078 411229 417 78824 144436 12969 212060 3395 3283 74 4831 15515 1572
27 recon 277 176 230 152 32 344 1087 14 335 304 332 40 273 437 62 536 41 379 1219 157 87 66 417 1529 240 542 206 267 172 92 7 1024 470 900
28 molport 411634 3310 4910 2899 1877 4435 18792 553 4462715 3995848 176092 460 15777 274386 972 4861 1793 111342 6922514 5461352 11394 11202 78824 240 7161732 110648 54449 138512 1887 2039 38 3329 14015 1102
29 nikkaji 198444 5778 8884 4074 3027 11385 28251 379 391067 131597 297160 501 31578 450816 1283 11430 1163 718273 2935540 88366 22281 4147 144436 542 110648 3439411 72058 193840 8185 3531 533 10741 30431 2690
31 bindingdb 472085 3704 6888 3929 1605 2440 8895 299 368723 56325 125350 336 6191 212812 928 2378 936 185794 521634 53665 1891 6040 12969 206 54449 72058 548783 16485 845 1560 9 1992 25833 544
32 comptox 61069 3930 4486 2662 2244 6629 15068 512 246432 175173 237202 493 26375 308310 1219 6051 1359 129481 709099 98150 13428 3321 212060 267 138512 193840 16485 719884 2575 2936 47 3517 14068 1169
33 lipidmaps 2752 325 524 319 142 1732 5073 41 20856 2293 3788 75 1998 7152 71 6528 89 4852 37610 879 439 253 3395 172 1887 8185 845 2575 40459 163 208 3095 2367 821
34 drugcentral 3679 2206 698 1274 825 1221 3773 308 2745 2276 3070 244 2895 3760 1169 1441 593 3506 3834 1322 336 1480 3283 92 2039 3531 1560 2936 163 3959 7 448 1310 156
35 carotenoiddb 67 11 24 8 3 136 208 1 523 39 39 3 90 381 2 96 2 226 750 8 11 4 74 7 38 533 9 47 208 7 1144 88 147 93
36 metabolights 6667 1138 1789 690 298 3831 20304 65 11610 3565 4632 149 3295 7048 219 4318 200 8568 19632 1909 1024 1380 4831 1024 3329 10741 1992 3517 3095 448 88 20307 5135 3910
37 brenda 42302 3225 5438 1737 983 5876 12371 280 44902 16065 26337 415 8067 37698 794 4688 697 37439 74105 10395 3704 1967 15515 470 14015 30431 25833 14068 2367 1310 147 5135 122673 2489
38 rhea 1165 411 703 215 80 1452 7274 23 2161 1234 1495 67 1168 2160 84 1200 82 1794 6932 648 453 141 1572 900 1102 2690 544 1169 821 156 93 3910 2489 7274