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FIKHB 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 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
1 chembl 1648176 6015 11359 5319 4011 7162 30292 676 1397919 421420 246320 582 21687 392954 1359 7250 1742 435325 1605800 437362 7758 16339 65868 736 430876 216772 469132 66131 3487 3743 71 6904 44789
2 drugbank 6015 8256 5374 1975 1074 1959 3851 335 7275 3581 6024 332 4171 6843 1379 2180 842 6317 7975 2068 739 1561 4250 456 2591 5719 3974 4035 379 2109 8 1084 3495
3 pdb 11359 5374 22753 1483 622 2257 4211 176 20122 5567 9493 300 3255 12494 514 2000 555 10564 20186 3910 1389 1071 5232 629 4752 9215 7765 5064 681 835 26 1758 6101
4 gtopdb 5319 1975 1483 6319 901 1293 2742 267 5534 2933 4391 277 2782 5205 920 1433 771 5175 6264 1331 380 1719 2875 361 1888 4261 4283 2926 360 1313 4 691 1875
5 pubchem_dotf 4011 1074 622 901 5588 618 1844 318 3603 2068 3061 134 2823 4537 419 639 744 4695 5495 818 180 759 3576 65 1507 3305 1776 2499 177 874 2 333 1105
6 kegg_ligand 7162 1959 2257 1293 618 13076 12584 283 11025 6048 7834 384 6011 9568 875 4282 512 8921 12846 3560 1789 1338 10260 990 3801 12096 2851 7396 2215 1342 150 3896 6416
7 chebi 30292 3851 4211 2742 1844 12584 56075 574 45157 22796 18339 556 12417 24892 1362 8950 1368 24619 55025 16151 3277 20598 20347 1226 17930 28080 9583 16066 5394 3797 194 14431 11981
8 nih_ncc 676 335 176 267 318 283 574 704 409 644 397 92 549 655 283 310 342 635 685 437 93 406 613 26 473 412 326 583 52 344 1 74 318
9 zinc 1397919 7275 20122 5534 3603 11025 45157 409 12339462 4586228 579114 549 26599 867986 1308 33854 1356 589757 10967862 5947968 19270 18995 180448 1182 5854035 441051 456702 291102 28516 3597 632 12750 54175
10 emolecules 421420 3581 5567 2933 2068 6048 22796 644 4586228 5068286 198663 550 20338 291163 1178 6736 1625 138691 4921191 4413324 13521 12285 106441 705 4414295 139837 61089 180032 2992 2499 54 3937 17249
11 ibm 246320 6024 9493 4391 3061 7834 18339 397 579114 198663 7505114 505 24495 5627962 1293 9267 1230 996095 6983106 157620 16379 4176 120989 924 303962 335133 140711 243797 6104 3431 184 5392 30156
12 atlas 582 332 300 277 134 384 556 92 549 550 505 667 477 599 229 324 156 572 626 354 176 326 544 73 378 544 362 528 83 269 3 166 463
14 fdasrs 21687 4171 3255 2782 2823 6011 12417 549 26599 20338 24495 477 46091 36278 1225 5891 1465 30464 45103 10495 5039 2406 30772 616 14038 30393 6692 27224 2123 3272 80 3160 8474
15 surechembl 392954 6843 12494 5205 4537 9568 24892 655 867986 291163 5627962 599 36278 16411041 1403 11208 1801 1379381 14592361 236862 18706 5325 164943 1113 461100 448708 211487 317347 7302 3787 475 6778 38081
17 pharmgkb 1359 1379 514 920 419 875 1362 283 1308 1178 1293 229 1225 1403 1419 1367 417 1365 1391 813 233 912 1351 104 605 1304 943 1309 91 1271 3 236 862
18 hmdb 7250 2180 2000 1433 639 4282 8950 310 33854 6736 9267 324 5891 11208 1367 40864 559 11136 23691 3850 1977 1321 9293 1365 4135 15347 2853 7140 7363 1566 188 4965 5819
20 selleck 1742 842 555 771 744 512 1368 342 1356 1625 1230 156 1465 1801 417 559 1871 1752 1831 809 168 866 1289 60 1614 1234 1005 1510 107 635 2 223 793
21 pubchem_tpharma 435325 6317 10564 5175 4695 8921 24619 635 589757 138691 996095 572 30464 1379381 1365 11136 1752 3572238 3485826 100554 19982 4579 94863 966 145445 761718 200100 143862 6404 3690 307 9188 40909
22 pubchem 1605800 7975 20186 6264 5495 12846 55025 685 10967862 4921191 6983106 626 45103 14592361 1391 23691 1831 3485826 77524538 8165081 41180 20793 389589 1385 21599994 2693795 502266 705039 36511 3818 767 14245 72277
23 mcule 437362 2068 3910 1331 818 3560 16151 437 5947968 4413324 157620 354 10495 236862 813 3850 809 100554 8165081 31612061 9940 10821 72835 402 6625398 97481 58483 102797 1382 1628 15 2321 11627
24 nmrshiftdb2 7758 739 1389 380 180 1789 3277 93 19270 13521 16379 176 5039 18706 233 1977 168 19982 41180 9940 41797 474 13134 221 12131 24572 2160 14661 594 468 21 1203 4081
25 lincs 16339 1561 1071 1719 759 1338 20598 406 18995 12285 4176 326 2406 5325 912 1321 866 4579 20793 10821 474 21295 3189 134 11240 3984 6065 3274 310 1423 4 1070 1967
26 actor 65868 4250 5232 2875 3576 10260 20347 613 180448 106441 120989 544 30772 164943 1351 9293 1289 94863 389589 72835 13134 3189 398782 1000 92633 159566 15677 230654 4683 3592 133 5704 18147
27 recon 736 456 629 361 65 990 1226 26 1182 705 924 73 616 1113 104 1365 60 966 1385 402 221 134 1000 1433 442 1207 437 676 559 179 10 1088 1101
28 molport 430876 2591 4752 1888 1507 3801 17930 473 5854035 4414295 303962 378 14038 461100 605 4135 1614 145445 21599994 6625398 12131 11240 92633 442 21820770 147819 60519 197697 1315 1746 22 2461 14335
29 nikkaji 216772 5719 9215 4261 3305 12096 28080 412 441051 139837 335133 544 30393 448708 1304 15347 1234 761718 2693795 97481 24572 3984 159566 1207 147819 2911646 80857 208779 10919 3670 618 10642 31532
31 bindingdb 469132 3974 7765 4283 1776 2851 9583 326 456702 61089 140711 362 6692 211487 943 2853 1005 200100 502266 58483 2160 6065 15677 437 60519 80857 515002 18235 1080 1665 9 2121 28531
32 comptox 66131 4035 5064 2926 2499 7396 16066 583 291102 180032 243797 528 27224 317347 1309 7140 1510 143862 705039 102797 14661 3274 230654 676 197697 208779 18235 706491 3509 3152 63 3908 15989
33 lipidmaps 3487 379 681 360 177 2215 5394 52 28516 2992 6104 83 2123 7302 91 7363 107 6404 36511 1382 594 310 4683 559 1315 10919 1080 3509 36543 191 218 3344 3055
34 drugcentral 3743 2109 835 1313 874 1342 3797 344 3597 2499 3431 269 3272 3787 1271 1566 635 3690 3818 1628 468 1423 3592 179 1746 3670 1665 3152 191 3865 6 470 1448
35 carotenoiddb 71 8 26 4 2 150 194 1 632 54 184 3 80 475 3 188 2 307 767 15 21 4 133 10 22 618 9 63 218 6 965 75 156
36 metabolights 6904 1084 1758 691 333 3896 14431 74 12750 3937 5392 166 3160 6778 236 4965 223 9188 14245 2321 1203 1070 5704 1088 2461 10642 2121 3908 3344 470 75 14460 4842
37 brenda 44789 3495 6101 1875 1105 6416 11981 318 54175 17249 30156 463 8474 38081 862 5819 793 40909 72277 11627 4081 1967 18147 1101 14335 31532 28531 15989 3055 1448 156 4842 107968