KCF-S cluster No. 710 (12 metabolites)

Corresponding Phytochemical cluster No. 4

• Index
• Plant Species
• KEGG BRITE br08003
• Metabolite list (12)
• Human Protein
  / Gene in interactions
• Related Diseases

Plant Species

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Cumulative plant class count

class name	count
rosids	40
asterids	10
Liliopsida	3
Spermatophyta	2
Viridiplantae	1
Euphyllophyta	1
eudicotyledons	1
Magnoliophyta	1

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Cumulative family count (Top 20)

class name	count
Fabaceae	20
Brassicaceae	12
Solanaceae	5
Streptomycetaceae	5
Cucurbitaceae	3
Asteraceae	3
Poaceae	2
Vitaceae	2
Pinaceae	2
Cynipidae	2
Phyllanthaceae	1
Dysideidae	1
Euphorbiaceae	1
Hydrodictyaceae	1
Rutaceae	1
Rhizobiaceae	1
Pleosporaceae	1
Pichiaceae	1
Phycomycetaceae	1
Lygodiaceae	1

KEGG BRITE br08003

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Categories (1)

br08003 Category	# of metabolite
Indole alkaloids	2

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metabolites link (2)

br08003 Category	KEGG ID	KNApSAcK ID
Indole alkaloids	C00398	C00001434
Indole alkaloids	C06213	C00026521

Metabolite list (12)

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
C00000107	IAN / Indole-3-acetonitrile	CHEMBL1812654	C016516
C00000108	IAM / Indole-3-acetamide / 1H-Indole-3-acetamide		C015950
C00000109	Indole-3-acetaldehyde		C001655
C00000110	Indole-3-acetaldoxime
C00000114	Tryptophol / Indole-3-ethanol	CHEMBL226545	C005949	2 / 4 / 2
C00001430	Skatole	CHEMBL1329793	D012862	2 / 1 / 4	7 / 1
C00001434	Tryptamine / beta-(3-Indolyl)ethylamine	CHEMBL6640	C030820	20 / 5 / 7	6 / 2
C00007397	3-Indolylmethylthiohydroximate
C00007418	N-hydroxy tryptamine
C00007419	1-aci-Nitro-2-indolylethane
C00026521	N-Methyltryptamine / N10-Methyltryptamine	CHEMBL348588	C035668	6 / 2 / 1
C00041598	Indole-3-methanol	CHEMBL155625	C016517	7 / 1 / 1	50 / 7

Human Protein / Gene in interactions

33 ChEMBL Protein in interactions

accession	description	class description	KNApSAcK metabolite in interactions	# of diseases (OMIM / KEGG)
O75496	Geminin	Unclassified protein	C00001430 C00001434 C00041598	0 / 0
Q96KQ7	Histone-lysine N-methyltransferase EHMT2	Enzyme	C00026521 C00041598	0 / 0
Q16236	Nuclear factor erythroid 2-related factor 2	Unclassified protein	C00001434 C00041598	0 / 0
P50406	5-hydroxytryptamine receptor 6	Serotonin receptor	C00001434	0 / 0
P28222	5-hydroxytryptamine receptor 1B	Serotonin receptor	C00001434	0 / 0
P11712	Cytochrome P450 2C9	Cytochrome P450 2C9	C00001434	0 / 1
Q9NR56	Muscleblind-like protein 1	Unclassified protein	C00001434	1 / 0
P05164	Myeloperoxidase	Enzyme	C00001434	1 / 2
P43235	Cathepsin K	C1A	C00001434	1 / 2
P00352	Retinal dehydrogenase 1	Enzyme	C00026521	0 / 0
P11509	Cytochrome P450 2A6	Cytochrome P450 2A6	C00001434	0 / 0
P42858	Huntingtin	Unclassified protein	C00026521	1 / 1
P10635	Cytochrome P450 2D6	Cytochrome P450 2D6	C00001434	1 / 0
P38398	Breast cancer type 1 susceptibility protein	Enzyme	C00000114	4 / 2
P10145	Interleukin-8	Secreted protein	C00041598	0 / 0
P43220	Glucagon-like peptide 1 receptor	Glucagon-like peptide receptor	C00000114	0 / 0
Q13315	Serine-protein kinase ATM	Atypical serine/threonine protein kinase PIKK subfamily	C00001430	1 / 4
P05177	Cytochrome P450 1A2	Cytochrome P450 1A2	C00001434	0 / 0
P51449	Nuclear receptor ROR-gamma	Nuclear hormone receptor subfamily 1 group F member 3	C00041598	0 / 0
Q96QE3	ATPase family AAA domain-containing protein 5	Unclassified protein	C00001434	0 / 0
P03372	Estrogen receptor	NR3A1	C00041598	1 / 1
P28223	5-hydroxytryptamine receptor 2A	Serotonin receptor	C00001434	0 / 0
P28335	5-hydroxytryptamine receptor 2C	Serotonin receptor	C00001434	0 / 0
P19838	Nuclear factor NF-kappa-B p105 subunit	Transcription Factor	C00001434	0 / 0
P33261	Cytochrome P450 2C19	Cytochrome P450 2C19	C00001434	1 / 1
P08684	Cytochrome P450 3A4	Cytochrome P450 3A4	C00001434	0 / 1
O75164	Lysine-specific demethylase 4A	Enzyme	C00001434	0 / 0
Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	Enzyme	C00041598	0 / 0
P08908	5-hydroxytryptamine receptor 1A	Serotonin receptor	C00026521	1 / 0
P28221	5-hydroxytryptamine receptor 1D	Serotonin receptor	C00001434	0 / 0
B2RXH2	Lysine-specific demethylase 4E	Enzyme	C00026521	0 / 0
P21728	D(1A) dopamine receptor	Dopamine receptor	C00001434	0 / 0
O94925	Glutaminase kidney isoform, mitochondrial	Enzyme	C00026521	0 / 0

60 Gene in CTD interactions

gene	gene name	gene description	KNApSAcK metabolite in interactions
196	AHR, bHLHe76	aryl hydrocarbon receptor	C00001430 C00041598
142	PARP1, ADPRT, ADPRT_1, ADPRT1, ARTD1, PARP, PARP-1, PPOL, pADPRT-1	poly (ADP-ribose) polymerase 1 (EC:2.4.2.30)	C00001430 C00041598
1543	CYP1A1, AHH, AHRR, CP11, CYP1, P1-450, P450-C, P450DX	cytochrome P450, family 1, subfamily A, polypeptide 1 (EC:1.14.14.1)	C00001430 C00041598
7031	TFF1, BCEI, D21S21, HP1.A, HPS2, pNR-2, pS2	trefoil factor 1	C00041598
581	BAX, BCL2L4	BCL2-associated X protein	C00041598
596	BCL2, Bcl-2, PPP1R50	B-cell CLL/lymphoma 2	C00041598
597	BCL2A1, ACC-1, ACC-2, BCL2L5, BFL1, GRS, HBPA1	BCL2-related protein A1	C00041598
598	BCL2L1, BCL-XL/S, BCL2L, BCLX, BCLXL, BCLXS, Bcl-X, PPP1R52, bcl-xL, bcl-xS	BCL2-like 1	C00041598
329	BIRC2, API1, HIAP2, Hiap-2, MIHB, RNF48, c-IAP1, cIAP1	baculoviral IAP repeat containing 2	C00041598
330	BIRC3, AIP1, API2, CIAP2, HAIP1, HIAP1, MALT2, MIHC, RNF49, c-IAP2	baculoviral IAP repeat containing 3	C00041598
332	BIRC5, API4, EPR-1	baculoviral IAP repeat containing 5	C00041598
672	BRCA1, BRCAI, BRCC1, BROVCA1, IRIS, PNCA4, PPP1R53, PSCP, RNF53	breast cancer 1, early onset	C00041598
675	BRCA2, BRCC2, BROVCA2, FACD, FAD, FAD1, FANCB, FANCD, FANCD1, GLM3, PNCA2	breast cancer 2, early onset	C00041598
836	CASP3, CPP32, CPP32B, SCA-1	caspase 3, apoptosis-related cysteine peptidase (EC:3.4.22.56)	C00041598
842	CASP9, APAF-3, APAF3, ICE-LAP6, MCH6, PPP1R56	caspase 9, apoptosis-related cysteine peptidase (EC:3.4.22.62)	C00041598
595	CCND1, BCL1, D11S287E, PRAD1, U21B31	cyclin D1	C00041598
898	CCNE1, CCNE	cyclin E1	C00041598
1017	CDK2, p33(CDK2)	cyclin-dependent kinase 2 (EC:2.7.11.22)	C00041598
1019	CDK4, CMM3, PSK-J3	cyclin-dependent kinase 4 (EC:2.7.11.22)	C00041598
1021	CDK6, PLSTIRE	cyclin-dependent kinase 6 (EC:2.7.11.22)	C00041598
1026	CDKN1A, CAP20, CDKN1, CIP1, MDA-6, P21, SDI1, WAF1, p21CIP1	cyclin-dependent kinase inhibitor 1A (p21, Cip1)	C00041598
1027	CDKN1B, CDKN4, KIP1, MEN1B, MEN4, P27KIP1	cyclin-dependent kinase inhibitor 1B (p27, Kip1)	C00041598
1030	CDKN2B, CDK4I, INK4B, MTS2, P15, TP15, p15INK4b	cyclin-dependent kinase inhibitor 2B (p15, inhibits CDK4)	C00041598
8837	CFLAR, CASH, CASP8AP1, CLARP, Casper, FLAME, FLAME-1, FLAME1, FLIP, I-FLICE, MRIT, c-FLIP, c-FLIPL, c-FLIPR, c-FLIPS	CASP8 and FADD-like apoptosis regulator	C00041598
1147	CHUK, IKBKA, IKK-alpha, IKK1, IKKA, NFKBIKA, TCF16	conserved helix-loop-helix ubiquitous kinase (EC:2.7.11.10)	C00041598
1509	CTSD, CLN10, CPSD	cathepsin D (EC:3.4.23.5)	C00041598
54205	CYCS, CYC, HCS, THC4	cytochrome c, somatic	C00041598
5243	ABCB1, ABC20, CD243, CLCS, GP170, MDR1, P-GP, PGY1	ATP-binding cassette, sub-family B (MDR/TAP), member 1 (EC:3.6.3.44)	C00041598
1545	CYP1B1, CP1B, CYPIB1, GLC3A, P4501B1	cytochrome P450, family 1, subfamily B, polypeptide 1 (EC:1.14.14.1)	C00041598
1956	EGFR, ERBB, ERBB1, HER1, PIG61, mENA	epidermal growth factor receptor (EC:2.7.10.1)	C00041598
2099	ESR1, ER, ESR, ESRA, ESTRR, Era, NR3A1	estrogen receptor 1	C00041598
9518	GDF15, GDF-15, MIC-1, MIC1, NAG-1, PDF, PLAB, PTGFB	growth differentiation factor 15	C00041598
3551	IKBKB, IKK-beta, IKK2, IKKB, NFKBIKB	inhibitor of kappa light polypeptide gene enhancer in B-cells, kinase beta (EC:2.7.11.10)	C00041598
3553	IL1B, IL-1, IL1-BETA, IL1F2	interleukin 1, beta	C00041598
3569	IL6, BSF2, HGF, HSF, IFNB2, IL-6	interleukin 6 (interferon, beta 2)	C00041598
4318	MMP9, CLG4B, GELB, MANDP2, MMP-9	matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase) (EC:3.4.24.35)	C00041598
4582	MUC1, CA_15-3, CD227, EMA, H23AG, KL-6, MAM6, MCKD1, MUC-1, MUC-1/SEC, MUC-1/X, MUC1/ZD, PEM, PEMT, PUM	mucin 1, cell surface associated	C00041598
4780	NFE2L2, NRF2	nuclear factor, erythroid 2-like 2	C00041598
4790	NFKB1, EBP-1, KBF1, NF-kB1, NF-kappa-B, NF-kappaB, NFKB-p105, NFKB-p50, NFkappaB, p105, p50	nuclear factor of kappa light polypeptide gene enhancer in B-cells 1	C00041598
4792	NFKBIA, IKBA, MAD-3, NFKBI	nuclear factor of kappa light polypeptide gene enhancer in B-cells inhibitor, alpha	C00041598
9429	ABCG2, ABC15, ABCP, BCRP, BCRP1, BMDP, CD338, CDw338, EST157481, GOUT1, MRX, MXR, MXR1, UAQTL1	ATP-binding cassette, sub-family G (WHITE), member 2	C00041598
5328	PLAU, ATF, BDPLT5, QPD, UPA, URK, u-PA	plasminogen activator, urokinase (EC:3.4.21.73)	C00041598
5743	PTGS2, COX-2, COX2, GRIPGHS, PGG/HS, PGHS-2, PHS-2, hCox-2	prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase) (EC:1.14.99.1)	C00041598
5970	RELA, NFKB3, p65	v-rel avian reticuloendotheliosis viral oncogene homolog A	C00041598
6667	SP1	Sp1 transcription factor	C00041598
367	AR, AIS, DHTR, HUMARA, HYSP1, KD, NR3C4, SBMA, SMAX1, TFM	androgen receptor	C00041598
7124	TNF, DIF, TNF-alpha, TNFA, TNFSF2	tumor necrosis factor	C00041598
7185	TRAF1, EBI6, MGC:10353	TNF receptor-associated factor 1	C00041598
7431	VIM, CTRCT30	vimentin	C00041598
331	XIAP, API3, BIRC4, IAP-3, ILP1, MIHA, XLP2, hIAP-3, hIAP3	X-linked inhibitor of apoptosis	C00041598
1548	CYP2A6, CPA6, CYP2A, CYP2A3, CYPIIA6, P450C2A, P450PB	cytochrome P450, family 2, subfamily A, polypeptide 6 (EC:1.14.14.1)	C00001434
3356	HTR2A, 5-HT2A, HTR2	5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled	C00001434
6530	SLC6A2, NAT1, NET, NET1, SLC6A5	solute carrier family 6 (neurotransmitter transporter), member 2	C00001434
6531	SLC6A3, DAT, DAT1, PKDYS	solute carrier family 6 (neurotransmitter transporter), member 3	C00001434
6532	SLC6A4, 5-HTT, 5-HTTLPR, 5HTT, HTT, OCD1, SERT, SERT1, hSERT	solute carrier family 6 (neurotransmitter transporter), member 4	C00001434
134864	TAAR1, RP11-295F4.9, TA1, TAR1, TRAR1	trace amine associated receptor 1	C00001434
1553	CYP2A13, CPAD, CYP2A, CYPIIA13	cytochrome P450, family 2, subfamily A, polypeptide 13 (EC:1.14.14.1)	C00001430
1572	CYP2F1, C2F1, CYP2F	cytochrome P450, family 2, subfamily F, polypeptide 1 (EC:1.14.14.1)	C00001430
1580	CYP4B1, CYPIVB1, P-450HP	cytochrome P450, family 4, subfamily B, polypeptide 1 (EC:1.14.14.1)	C00001430
7157	TP53, BCC7, LFS1, P53, TRP53	tumor protein p53	C00001430

Related Diseases

Diseases related to proteins in ChEMBL interactions

Diseases related to CTD interactions