Table 1 The details of off-targets of gefitinib identified through MIF similarity serach analysis.

From: Identification of gefitinib off-targets using a structure-based systems biology approach; their validation with reverse docking and retrospective data mining

S. No.	Gene names	PDB ID	UniprotKB ID	Pfam ID	Organism	Functions	Locations
1	BMPR1B	3MDY	O00238	PF08515	Human	positive regulation of chondrocyte differentiation	cell membrane
2	SRC SRC1	1YOL, 1Y57 3EN5, 3EN7, 3EN4	P12931 P00523	PF07714	Human Chicken	regulation of cytoskeletal organization, activation of EGF-mediated calcium- chloride channel	cell membrane, mitochondrial inner membrane, nucleus, cytoplasm
3	FGFR2 BEK KGFR KSAM	3RI1, 1OEC	P21802	PF07714	Human	regulates the cell proliferation, differentiation, migration, apoptosis, and embryonic development	cell membrane, Golgi apparatus, cytoplasmic vesicles
4	ACVRL1 ACVRLK1 ALK1	3MY0	P37023	PF08515	Human	regulator of normal blood vessel development	cell membrane
5	MAPK8 JNK1 PRKM8 SAPK1 SAPK1C	3ELJ	P45983	PF00069	Human	regulates the circadian clock	cytoplasm, nucleus
6	ALK	2XBA	Q9UM73	ALK_HUMAN	Human	genesis and differentiation of the nervous system	cell membrane
7	Comp	1FBM	P35444	COMP_RAT	Rat	regulates structural integrity of cartilage	extra cellular matrix
8	AURKA AIK AIRK1 ARK1 AURA AYK1 BTAK IAK1 STK15 STK6	3LAU, 3UOH	O14965	PF00069	Human	regulates cell cycle progression	cytoplasm, cytoskeleton, microtubule organizing center, centrosome
9	DMPK DM1PK MDPK	2VD5	Q09013	DMPK_HUMAN	Human	maintains skeletal muscle structure and function	cell membrane, ER membrane, mitochondrial outer membrane
10	SLK KIAA0204 STK2	2J51	Q9H2G2	PF00069	Human	mediates apoptosis and actin stress fiber dissolution	cytoplasm
11	ERBB4 HER4	2R4B	Q15303	PF07714	Human	regulates development of the heart, the central nervous system and the mammary gland, promote apoptosis	cell membrane, nucleus and mitochondria
12	ttgR T1E_0244	2UXH	Q9AIU0	TTGR_PSEPT	Pseudomonas putida (strain DOT-T1E)	responsible for antibiotics resistance	not known
13	TNK2 ACK1	3EQR	Q07912	ACK1_HUMAN	Human	involved in trafficking and clathrin-mediated endocytosis	cell membrane, nucleus, endosome
14	EGFR ERBB ERBB1 HER1	3UG2, 3LZB	P00533	EGFR_HUMAN	Human	activates several signal cascades	cell membrane, ER membrane nucleus membrane, Golgi membrane, endosome
15	STK25 SOK1 YSK1	2XIK	O00506	STK25_HUMAN	Human	response against environmental stress	cytoplasm, Golgi apparatus
16	LCK	3KMM, 3KXZ, 3ACK, 3MPM, 3AC3, 3AC2, 3AD4	P06239	LCK_HUMAN	Human	responsible for selection and maturation of developing T-cells	cytoplasm, cell membrane
17	IGF1R	2ZM3	P08069	IGF1R_HUMAN	Human	involved in cell growth and survival control	cell membrane
18	CHEK1 CHK1	2HOG, 2E9N, 4FTI, 4FSR, 2XF0, 2HXL, 4FTQ, 2HY0, 4FT3, 4FTN, 2BRB, 2BRH, 2XEY, 4FTO, 2QHM, 2E9U, 4FT0, 3UN9, 4FTC, 2BR1	O14757	CHK1_HUMAN	Human	required for cell cycle arrest and activation of DNA repair	nucleus, cytoplasm
19	PRKCI DXS1179E	1ZRZ	P41743	KPCI_HUMAN	Human	Plays a protective role against apoptotic stimuli	cytoplasm, membrane, nucleus, endosome
20	MAP3K9 MLK1 PRKE1	3DTC	P80192	M3K9_HUMAN	Human	role in the cascades of cellular responses	intracellular
21	FGFR1 BFGFR CEK FGFBR FLG FLT2 HBGFR	3TT0, 4F64	P11362	FGFR1_HUMAN	Human	essential for regulation of embryonic development, cell proliferation, differentiation and migration	cytoplasm, cell membrane, nucleus, cytoplasmic vesicles
22	MAPK14 CSBP CSBP1 CSBP2 CSPB1 MXI2 SAPK2A	1DI9, 3FLW, 3KF7, 3ROC, 3IW7, 3FLZ, 3MVM, 2ZB1, 2RG6, 1WBW	Q16539	MK14_HUMAN	Human	essential component of the MAP kinase signal transduction pathways responsible for activating the cascades of cellular responses	cytoplasm. nucleus
23	KIT SCFR	3G0E	P10721	KIT_HUMAN	Human	responsible for regulation of hematopoiesis, stem cell maintenance, gametogenesis, mast cell development, and in melanogenesis	cytoplasm, cell membrane
24	STK17B DRAK2	3LM0	O94768	ST17B_HUMAN	Human	positive regulator of apoptosis	cell membrane, nucleus
25	aurkb-a airk2-a	2VRX	Q6DE08	AUKBA_XENLA	Xenopus laevis	key regulator of mitosis	nucleus, chromosomes
26	ACK2	1ZOH	P28523	CSK2A_MAIZE	Zea mays (Maize)	utilizes acidic proteins	not known
27	ABL1 ABL JTK7	3UE4, 3KF4 (Mouse)	P00519	ABL1_HUMAN	Human	responsible for cell growth and survival	cytoplasm, nucleus, mitochondria
28	MAPK10 JNK3 JNK3A PRKM10 SAPK1B	2O2U, 4Z9L, 3CGO, 2O0U, 3TTJ, 2ZDT	P53779	MK10_HUMAN	Human	involved in neuronal proliferation, differentiation, migration and programmed cell death	cytoplasm. nucleus, mitochondria, membrane
29	MAPKAPK2	3KA0	P49137	MAPK2_HUMAN	Human	involved in cytokine production, endocytosis, reorganization of the cytoskeleton, chromatin remodeling and DNA damage response	cytoplasm, nucleus
30	BTK AGMX1 ATK BPK	3PJ1, 3PJ2, 3OCT	Q06187	BTK_HUMAN	Human	Vital for B lymphocyte development, differentiation and signaling	cytoplasm. nucleus, cell membrane
31	ACVR1 ACVRLK2	3MTF, 3OOM	Q04771	ACVR1_HUMAN	Human	involved for left-right pattern formation during embryogenesis	membrane
32	SYK	1XBC	P43405	KSYK_HUMAN	Human	regulates innate and adaptive immunity, cell adhesion, osteoclast maturation, platelet activation and vascular development	cytoplasm, cell membrane
33	EPHB4 HTK MYK1 TYRO11	2VX1, 2VWU, 2×9F, 2VWX, 2VWW	P54760	EPHB4_HUMAN	Human	important in tumor angiogenesis	cell membrane
34	CDPK1	3T3U, 3NYV, 3MWU, 3MA6	Q9BJF5A3FQ16	Q9BJF5_TOXGO A3FQ16_CRYPI	Toxoplasma gondii Cryptosporidium parvum (strain Iowa II)	binds with metals and nucleotides	not known
35	CDK6 CDKN6	3NUX	Q00534	CDK6_HUMAN	Human	controls cell cycle and differentiation	cytoplasm. nucleus
36	DHODH	3F1Q	Q02127	PYRD_HUMAN	Human	catalyzes the conversion of dihydroorotate to orotate	mitochondrial inner membrane
37	CDK2 CDKN2	3EZV, 2UZD, 2IW6, 3R6X, 1DI8, 2VTQ, 2VU3, 2W17, 3R1Q, 1GIJ	P24941	CDK2_HUMAN	Human	control of the cell cycle; essential for meiosis, but non-essential for mitosis	cytoplasm. nucleus, endosome
38	PIM1	3MA3, 2O65, 3R04, 3T9I, 3VBY, 3UMX, 4ENY, 3CY3, 3JY0	P11309	PIM1_HUMAN	Human	involved in cell survival and cell proliferation, provide advantage in tumorigenesis	cytoplasm. nucleus, cell membrane
39	STK10 LOK	4BC6	O94804	STK10_HUMAN	Human	regulates lymphocyte migration	cell membrane
40	Mapk1 Erk2 Mapk Prkm1	2Z7L	P63086	MK01_RAT	Rat	plays important role in the MAPK/ERK cascade	cytoplasm, nucleus
41	PRKACA PKACA	3AMB, 1SZM	P17612 P00517	KAPCA_HUMAN KAPCA_BOVIN	Human Bovine	involved in the regulation of platelets	cytoplasm. nucleus, cell membrane, mitochondria
42	ITK EMT LYK	3T9T, 3V8T	Q08881	ITK_HUMAN	Human	involved in regulation of the adaptive immune response	cytoplasm
43	MET	3ZZE	P08581	MET_HUMAN	Human	mediates entry of the pathogen into cells	membrane
44	CHK2	2YCQ, 2YIT	O96017	CHK2_HUMAN	Human	required for checkpoint-mediated cell cycle arrest	nucleus
45	TTK	3HMO	P33981	TTK_HUMAN	Human	associated with cell proliferation	membrane, spindle
46	NTRK1	4AOJ	P04629	NTRK1_HUMAN	Human	involved in the development and the maturation of the central and peripheral nervous systems	cell membrane, early endosome membrane, late endosome membrane
47	TTR	1KGJ	P02767	TTHY_RAT	Rat	transports thyroxine from the bloodstream to the brain	secreted
48	HSD17B1	3DHE	P14061	DHB1_HUMAN	Human	has 20-alpha-HSD activity	cytoplasm
49	METF	3FSU	P0AEZ1	METF_ECOLI	E.coli	converts homocysteine to methionine	cytosol
50	BETVIA	4A84	P15494	BEV1A_BETPN	Betula pendula	steroid carrier protein	cytoplasm

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Table 1 The details of off-targets of gefitinib identified through MIF similarity serach analysis.

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