KCF-S cluster No. 2266 (5 metabolites)
Corresponding Phytochemical cluster No. 12
Plant Species
Cumulative plant class count
| class name | count |
|---|---|
| rosids | 14 |
| asterids | 8 |
| eudicotyledons | 1 |
Cumulative family count
| class name | count |
|---|---|
| Rutaceae | 6 |
| Sapindaceae | 5 |
| Theaceae | 5 |
| Aquifoliaceae | 2 |
| Malvaceae | 2 |
| Rubiaceae | 1 |
| Loranthaceae | 1 |
| Fabaceae | 1 |
| Enterobacteriaceae | 1 |
| Styelidae | 1 |
KEGG BRITE br08003
Categories (1)
| br08003 Category | # of metabolite |
|---|---|
| Purine alkaloids | 5 |
metabolites link (5)
| br08003 Category | KEGG ID | KNApSAcK ID |
|---|---|---|
| Purine alkaloids | C07480 | C00001509 |
| Purine alkaloids | C16353 | C00007326 |
| Purine alkaloids | C00385 | C00019660 |
| Purine alkaloids | C13747 | C00039930 |
| Purine alkaloids | C16357 | C00043196 |
Metabolite list (5)
| KNApSAcK ID | name | ChEMBL link | CTD link |
# of proteins in
ChEMBL interaction / related OMIM / related KEGG DISEASE |
# of genes in
CTD interaction / related diseases |
figure |
|---|---|---|---|---|---|---|
|
C00001509
|
Theobromine
|
CHEMBL1114
|
D013805
|
13 / 9 / 7 | 2 / 1 |
|
|
C00007326
|
7-Methylxanthine
|
CHEMBL321248
|
C064273
|
1 / 0 / 0 |
|
|
|
C00019660
|
Xanthine
|
CHEMBL1424
|
D019820
|
8 / 6 / 2 | 4 / 2 |
|
|
C00039930
|
Paraxanthine
|
CHEMBL1158
|
C021183
|
15 / 28 / 21 | 6 / 4 |
|
|
C00043196
|
3-Methylxanthine
|
CHEMBL619
|
C029703
|
6 / 1 / 0 | 0 / 1 |
|
Human Protein / Gene in interactions
29 ChEMBL Protein in interactions
| accession | description | class description | KNApSAcK metabolite in interactions |
# of diseases
(OMIM / KEGG) |
|---|---|---|---|---|
| P10635 | Cytochrome P450 2D6 | Cytochrome P450 2D6 | C00001509 C00039930 | 1 / 0 |
| Q08499 | cAMP-specific 3',5'-cyclic phosphodiesterase 4D | PDE_4D | C00019660 C00043196 | 1 / 0 |
| P27815 | cAMP-specific 3',5'-cyclic phosphodiesterase 4A | PDE_4A | C00019660 C00043196 | 0 / 0 |
| Q07343 | cAMP-specific 3',5'-cyclic phosphodiesterase 4B | PDE_4B | C00019660 C00043196 | 0 / 0 |
| Q9Y2T3 | Guanine deaminase | Enzyme | C00007326 C00019660 | 0 / 0 |
| Q08493 | cAMP-specific 3',5'-cyclic phosphodiesterase 4C | PDE_4C | C00019660 C00043196 | 0 / 0 |
| Q96KQ7 | Histone-lysine N-methyltransferase EHMT2 | Enzyme | C00001509 C00039930 | 0 / 0 |
| P08684 | Cytochrome P450 3A4 | Cytochrome P450 3A4 | C00001509 C00039930 | 0 / 1 |
| P33261 | Cytochrome P450 2C19 | Cytochrome P450 2C19 | C00001509 C00039930 | 1 / 1 |
| Q01453 | Peripheral myelin protein 22 | Unclassified protein | C00001509 C00039930 | 5 / 2 |
| P11712 | Cytochrome P450 2C9 | Cytochrome P450 2C9 | C00001509 C00039930 | 0 / 1 |
| P05177 | Cytochrome P450 1A2 | Cytochrome P450 1A2 | C00001509 C00039930 | 0 / 0 |
| P29274 | Adenosine receptor A2a | Adenosine receptor | C00019660 C00043196 | 0 / 0 |
| P83916 | Chromobox protein homolog 1 | Unclassified protein | C00001509 C00039930 | 0 / 0 |
| P00352 | Retinal dehydrogenase 1 | Enzyme | C00039930 | 0 / 0 |
| O94782 | Ubiquitin carboxyl-terminal hydrolase 1 | Enzyme | C00001509 | 0 / 0 |
| P28482 | Mitogen-activated protein kinase 1 | Erk | C00001509 | 0 / 0 |
| P54132 | Bloom syndrome protein | Enzyme | C00039930 | 1 / 2 |
| P19793 | Retinoic acid receptor RXR-alpha | NR2B1 | C00001509 | 0 / 0 |
| P10828 | Thyroid hormone receptor beta | NR1A2 | C00019660 | 3 / 1 |
| P16473 | Thyrotropin receptor | Glycohormone receptor | C00039930 | 3 / 2 |
| P27695 | DNA-(apurinic or apyrimidinic site) lyase | Enzyme | C00039930 | 0 / 0 |
| P10636 | Microtubule-associated protein tau | Unclassified protein | C00039930 | 4 / 3 |
| P02545 | Prelamin-A/C | Unclassified protein | C00039930 | 11 / 10 |
| Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Enzyme | C00001509 | 0 / 0 |
| P00492 | Hypoxanthine-guanine phosphoribosyltransferase | Enzyme | C00019660 | 2 / 1 |
| Q12809 | Potassium voltage-gated channel subfamily H member 2 | KCNH, Kv10-12.x (Ether-a-go-go) | C00001509 | 2 / 2 |
| P49798 | Regulator of G-protein signaling 4 | Unclassified protein | C00039930 | 2 / 0 |
| P29275 | Adenosine receptor A2b | Adenosine receptor | C00043196 | 0 / 0 |
11 Gene in CTD interactions
| gene | gene name | gene description | KNApSAcK metabolite in interactions |
|---|---|---|---|
| 1544 | CYP1A2, CP12, P3-450, P450(PA) | cytochrome P450, family 1, subfamily A, polypeptide 2 (EC:1.14.14.1) |
C00001509
C00039930
|
| 7124 | TNF, DIF, TNF-alpha, TNFA, TNFSF2 | tumor necrosis factor |
C00039930
|
| 1548 | CYP2A6, CPA6, CYP2A, CYP2A3, CYPIIA6, P450C2A, P450PB | cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1) |
C00039930
|
| 3291 | HSD11B2, AME, AME1, HSD11K, HSD2, SDR9C3 | hydroxysteroid (11-beta) dehydrogenase 2 (EC:1.1.1.146) |
C00039930
|
| 3569 | IL6, BSF2, HGF, HSF, IFNB2, IL-6 | interleukin 6 (interferon, beta 2) |
C00039930
|
| 136 | ADORA2B, ADORA2 | adenosine A2b receptor |
C00039930
|
| 1571 | CYP2E1, CPE1, CYP2E, P450-J, P450C2E | cytochrome P450, family 2, subfamily E, polypeptide 1 (EC:1.14.13.n7) |
C00001509
|
| 836 | CASP3, CPP32, CPP32B, SCA-1 | caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56) |
C00019660
|
| 847 | CAT | catalase (EC:1.11.1.6) |
C00019660
|
| 7040 | TGFB1, CED, DPD1, LAP, TGFB, TGFbeta | transforming growth factor, beta 1 |
C00019660
|
| 7498 | XDH, XO, XOR | xanthine dehydrogenase (EC:1.17.1.4 1.17.3.2) |
C00019660
|
Related Diseases
Diseases related to proteins in ChEMBL interactions
OMIM (36)
| OMIM | preferred title | UniProt |
|---|---|---|
| #614613 | Acrodysostosis 2, with or without hormone resistance; acrdys2 |
Q08499
|
| #210900 | Bloom syndrome; blm |
P54132
|
| #115200 | Cardiomyopathy, dilated, 1a; cmd1a |
P02545
|
| #212112 | Cardiomyopathy, dilated, with hypergonadotropic hypogonadism |
P02545
|
| #118300 | Charcot-marie-tooth disease and deafness |
Q01453
|
| #605588 | Charcot-marie-tooth disease, axonal, type 2b1; cmt2b1 |
P02545
|
| #118220 | Charcot-marie-tooth disease, demyelinating, type 1a; cmt1a |
Q01453
|
| #609535 | Drug metabolism, poor, cyp2c19-related |
P33261
|
| #608902 | Drug metabolism, poor, cyp2d6-related |
P10635
|
| #181350 | Emery-dreifuss muscular dystrophy 2, autosomal dominant; edmd2 |
P02545
|
| #600274 | Frontotemporal dementia; ftd |
P10636
|
| #139393 | Guillain-barre syndrome, familial; gbs |
Q01453
|
| #610140 | Heart-hand syndrome, slovenian type |
P02545
|
| #176670 | Hutchinson-gilford progeria syndrome; hgps |
P02545
|
| #603373 | Hyperthyroidism, familial gestational |
P16473
|
| #609152 | Hyperthyroidism, nonautoimmune |
P16473
|
| #145900 | Hypertrophic neuropathy of dejerine-sottas |
Q01453
|
| #275200 | Hypothyroidism, congenital, nongoitrous, 1; chng1 |
P16473
|
| #300323 | Kelley-seegmiller syndrome |
P00492
|
| #300322 | Lesch-nyhan syndrome; lns |
P00492
|
| #151660 | Lipodystrophy, familial partial, type 2; fpld2 |
P02545
|
| #613688 | Long qt syndrome 2; lqt2 |
Q12809
|
| #248370 | Mandibuloacral dysplasia with type a lipodystrophy; mada |
P02545
|
| #613205 | Muscular dystrophy, congenital, lmna-related |
P02545
|
| #159001 | Muscular dystrophy, limb-girdle, type 1b; lgmd1b |
P02545
|
| #162500 | Neuropathy, hereditary, with liability to pressure palsies; hnpp |
Q01453
|
| #260540 | Parkinson-dementia syndrome |
P10636
|
| #172700 | Pick disease of brain |
P10636
|
| #275210 | Restrictive dermopathy, lethal |
P02545
|
| #604906 | Schizophrenia 9; sczd9 |
P49798
|
| #181500 | Schizophrenia; sczd |
P49798
|
| #609620 | Short qt syndrome 1; sqt1 |
Q12809
|
| #601104 | Supranuclear palsy, progressive, 1; psnp1 |
P10636
|
| #188570 | Thyroid hormone resistance, generalized, autosomal dominant; grth |
P10828
|
| #274300 | Thyroid hormone resistance, generalized, autosomal recessive; grth |
P10828
|
| #145650 | Thyroid hormone resistance, selective pituitary; prth |
P10828
|
KEGG DISEASE (25)
| KEGG | name | UniProt |
|---|---|---|
| H00194 | Lesch-Nyhan syndrome |
P00492
(related)
|
| H00264 | Charcot-Marie-Tooth disease (CMT) |
P02545
(related)
Q01453 (related) |
| H00294 | Dilated cardiomyopathy (DCM) |
P02545
(related)
|
| H00420 | Familial partial lipodystrophy (FPL) |
P02545
(related)
|
| H00563 | Emery-Dreifuss muscular dystrophy |
P02545
(related)
|
| H00590 | Congenital muscular dystrophies (CMD/MDC) |
P02545
(related)
|
| H00593 | Limb-girdle muscular dystrophy (LGMD) |
P02545
(related)
|
| H00601 | Hutchinson-Gilford progeria syndrome |
P02545
(related)
|
| H00663 | Restrictive dermopathy |
P02545
(related)
|
| H00665 | Mandibuloacral dysplasia |
P02545
(related)
|
| H01216 | Left ventricular noncompaction (LVNC) |
P02545
(related)
|
| H00036 | Osteosarcoma |
P08684
(marker)
|
| H00058 | Amyotrophic lateral sclerosis (ALS) |
P10636
(related)
|
| H00077 | Progressive supranuclear palsy (PSP) |
P10636
(related)
|
| H00078 | Frontotemporal lobar degeneration (FTLD) |
P10636
(related)
|
| H00249 | Thyroid hormone resistance syndrome |
P10828
(related)
|
| H01205 | Coumarin resistance |
P11712
(related)
|
| H00250 | Congenital nongoitrous hypothyroidism (CHNG) |
P16473
(related)
|
| H01269 | Congenital hyperthyroidism |
P16473
(related)
|
| H01171 | Poor drug metabolism (PM) |
P33261
(related)
|
| H00094 | DNA repair defects |
P54132
(related)
|
| H00296 | Defects in RecQ helicases |
P54132
(related)
|
| H01296 | Hereditary neuropathy with liability to pressure palsies (HNPP) |
Q01453
(related)
|
| H00720 | Long QT syndrome |
Q12809
(related)
|
| H00725 | Short QT syndrome |
Q12809
(related)
|
Diseases related to CTD interactions
8 disease in interactions with metabolites
| MESH or OMIM | name |
KNApSAcK
metabolite |
|---|---|---|
| D005317 | Fetal Growth Retardation |
C00039930
|
| D007249 | Inflammation |
C00039930
|
| D055370 | Lung Injury |
C00039930
|
| D029424 | Pulmonary Disease, Chronic Obstructive |
C00039930
|
| D012640 | Seizures |
C00043196
|
| D011230 | Precancerous Conditions |
C00001509
|
| D019970 | Cocaine-Related Disorders |
C00019660
|
| D009410 | Nerve Degeneration |
C00019660
|