Aspartame

Aspartame

SCHEMBL3843933

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O.Cl

nearest known ligand 0.63

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Aspartame. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 known ✓ P41145 1/20 0.57
GLA known ✓ P06280 1/20 0.52
ALDH1A1 P00352 2/20 0.62
THRB P10828 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
ATM Q13315 2/20 0.56
POLB P06746 1/20 0.54
BIRC2 Q13490 1/20 0.53
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
ANPEP P15144 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Aspartame SCHEMBL5499340 1.00 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8761786 1.00 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL9019515 0.99 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL11085391 0.99 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10625481 0.99 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL216238 0.99 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL900809 0.99 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8761655 0.99 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8091203 0.99 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL3637 0.99 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 258 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115545487-A Polymorphic power grid dynamic evaluation method and system based on system dynamics 国网安徽省电力有限公司经济技术研究院 2022-12-30 CN claimed
CN-216172281-U Neutralization reaction device for aspartame production 江苏汉光生物工程有限公司 2022-04-05 CN claimed
CN-111034986-A Production method of aspartame 南通市常海食品添加剂有限公司 2020-04-21 CN claimed
CN-110894211-A Production method of high-quality aspartame 南通市常海食品添加剂有限公司 2020-03-20 CN claimed
WO-2001079264-A1 PROCESS FOR PRODUCING α-L-ASPARTYL-L-PHENYLALANINE METHYLESTER HYDROCHLORIDE DAE SANG CORPORATION (KR) 2001-10-25 WO claimed
CN-1035183-C Process for preparation of alpha-L-aspartyl-L-phenylalanine methyl ester hydrochloride by use of isolated N-formyl L-aspartic anhydride NUTRASWEET CO (US) 1997-06-18 CN claimed
EP-0581032-B1 Method for production of alpha-L-aspartyl-L-phenylalanine methyl ester hydrochloride AJINOMOTO KK (JP) 1997-06-11 EP claimed
EP-0516100-B1 Method of preparing alpha-L-aspartyl-L-phenylalanine methyl ester or its hydrochloride salt AJINOMOTO KK (JP) 1996-12-11 EP claimed
EP-0582303-B1 Method for the production of alpha-L-aspartyl-L-phenylalanine methyl ester hydrochloride AJINOMOTO KK (JP) 1996-12-11 EP claimed
US-5530155-A Process for recovering L-phenylalanine AJINOMOTO CO., INC. (JP) 1996-06-25 US claimed
US-4778916-A CONDENSATION OF N-FORMYL-L-ASPARTIC ACID ANHYDRIDE WITH PHENYLALANINE IN BASIC AQUEOUS SOLUTION MITSUI TOATSU CHEMICALS, INC. (JP) 1988-10-18 US claimed
US-4684745-A Process for producing α-L-aspartyl-L-phenylalanine methyl ester for its hydrochloride AJINOMOTO COMPANY INCORPORATED (JP) 1987-08-04 US claimed
US-4677220-A Process for the preparation of α-L-aspartyl-L-phenylalanine methyl ester MONSANTO COMPANY (US) 1987-06-30 US claimed
EP-0221878-A2 Process for the preparation of alpha-L-aspartyl-L-phenylalanine methyl ester Monsanto Company (US) 1987-05-13 EP claimed
EP-0200311-A2 Preparation process of alpha-L-aspartyl-L-phenylalanine methyl ester or hydrochloride thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-05 EP claimed
EP-0196866-A2 Preparation process of alpha-L-aspartyl-L-phenylalanine methyl ester or hydrochloride thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-10-08 EP claimed
US-4606854-A Method of preparing α-L-aspartyl-L-phenylalanine methyl ester and its hydrochloride AJINOMOTO CO., INC. (JP) 1986-08-19 US claimed
EP-0187530-A2 Process for the preparation of alpha-L-aspartyl-L-phenylalanine methyl ester MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-16 EP claimed
US-4029701-A Sweetening with hydrohalide salts of dipeptide sweeteners GENERAL FOODS CORPORATION (US) 1977-06-14 US claimed
US-4017472-A Process for isolation of aspartyl dipeptide esters G. D. SEARLE & CO. (US) 1977-04-12 US claimed