Patent SG-11201408017V-A (SG)
Title: Interaction prediction device, interaction prediction method, and computer program product
Inventor: KITANO HIROAKI
IPC: C12M1/34
Filed: 2013-06-13
Abstract: (i2) mwu ft iz s-5 iv x m £ titz s issaj n d9) mm IHMMi _ (4T» HIB^gfl El 2013# 12 fll9 0(19.12.2013) w , PO tpCT (10) WO 2013/187468 A1 (51) C12M1/34 (2006.01) (21) (22) g&ttHQ: (25) (26) 4>§fl(£> s In: CI2Q 1/00 (2006.01) PCT/JP2013/066323 2013^6^ 13 0(13.06.2013) (30) fiBfefix — $: 2012-134261 2012 ^6^ 13 0(13.06.2012) (71) JP tiiSA: ¥&£ (Okinawa Institute of Science and Technology Graduate University) [JP/JP]; T 9040412 glU,§. ft 1 9 1 9—1 Okinawa (JP). ISAvXfA • / W t • V^EJf5bll*fcrhe Systems Biology Institute) [JP/JP]; T 1080071 H 51^15 gget^5-6-9 77;i/3>t>5F Tokyo (JP). (72) itff £BJ(KITANO, Hiroaki); T 9040412 19 19-1 Okinawa (JP). V — > , <7 > -4 — (HSIN, Kun-yi); T 9040412 19 19- Okinawa _£JP). zf — VJL , +)\" 5 V <7 (GHOSH, Samik); T 1080071 &£\"• 5-6-9 ^£#g*iJ;§SJj)£A vXfA • /U* • v—ffl 3EttM#A Tokyo (JP). (74) ftHA: )S# £BJ(SAKAI, Hiroaki); T 1006020 K g 2 # 5 mtm a )\s~f<(Xf S#HI$S ft! l¥f£fiJT ! < : Tokyo (JP). (8i) Jt^ia (^ro&i^PBy, IS ^ nj f b): AE, AG, AL, AM, AO, AT, AU, AZ, BA, BB, BG, BH, BN, BR, BW, BY, BZ, CA, CH, CL, CN, CO, CR, CU, CZ, DE, DK, DM, DO, DZ, EC, EE, EG, ES, FI, GB, GD, GE, GH, GM, GT, HN, HR, HU, ID, IL, IN, IS, KE, KG, KN, KP, KR, KZ, LA, LC, LK, LR, LS, LT, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, PA, PE, PG, PH, PL, PT, QA, RO, RS, RU, RW, SC, SD, SE, SG, SK, SL, SM, ST, SV, SY, TH, TJ, TM, TN, TR, TT, TZ, UA, UG, US, UZ, VC, VN, ZA, ZM, ZW. [mn%] (54) Title: INTERACTION PREDICTION DEVICE, INTERACTION PREDICTION METHOD, AND PROGRAM 3 (54)f§0J®£fa:*gSftffl^;I]gm, tS&V* AA — L |-SB-I 3 ^SB-2 e^tiMSroat* X ^ai^^strosfe® } } SB-3 SB-4 lHiWS5ftffl%]gg>%5g l-SB-5 } SB-6 BB 00 •t l> 00 i-H en i-H o CJ O & SB-1 SB-2 SB-3 SB-4 SB-S SB-6 AA BB Acquisition of information related to compound structure Acquisition of information related to structure of candidate protein Display of result information Determination of predicted protein Determination of predicted interaction strength Prediction of effect Start End (57) Abstract: Provided is an interaction prediction device that: acquires information related to the structure of a com­ pound; acquires candidate protein structure information for a candidate protein that interacts with the compound; calcu­ lates the bonding strength between the candidate protein and the compound using a docking simulation method; determ­ ines predicted bonding strength that a is the bonding strength predicted by carrying out an overall evaluation of bonding strength; determines a predicted protein that is a candidate protein predicted to interact with the compound; calculates the interaction strength using a bonding strength simulation method; and determines predicted interaction strength that a is the interaction strength predicted by carrying out an over­ all evaluation of interaction strength. (57) u ifo: n its m $ > / sett it mm £ mm L , ZL u-v 3 wt felt ©*£•&&£ £JUii U zt\z&ij £ - 1 jb< ^ I'J $ *i £ ^ ffi $ > / W St V fe £ ^ I'J o zt\z& y o WO 2013/187468 A11 lllll llllllll II llllll III lllll lllll III III III lllll lllll lllll llll llll lllll lllll lllllll llll llll (84) V&tf nlfb): ARIPO (BW, GH, GM, KE, LR, LS, MW, MZ, NA, RW, SD, SL, SZ, TZ, UG, ZM, ZW), ZL— =j V T (AM, AZ, BY, KG, KZ, RU, TJ, TM), 3 — • V / \ (AL, AT, BE, BG, CH, CY, CZ, DE, DK, EE, ES, FI, FR, GB, GR, HR, HU, IE, IS, IT, LT, LU, LV, MC, MK, MT, NL, NO, PL, PT, RO, RS, SE, SI, SK, SM, TR), OAPI (BF, BJ, CF, CG, CI, CM, GA, GN, GQ, GW, KM, ML, MR, NE, SN, TD, TG). - (&&£ 21 &(3))