Beta-Alanine

Beta-Alanine

SCHEMBL65469

Cl.NCCC(=O)O

nearest known ligand 0.00

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 Beta-Alanine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Beta-Alanine SCHEMBL28606696 1.00
Beta-Alanine SCHEMBL1344159 1.00 BLM (0.63)
Beta-Alanine SCHEMBL18281080 0.96
Beta-Alanine SCHEMBL20411566 0.96
Beta-Alanine SCHEMBL21500 0.96
Beta-Alanine SCHEMBL18281085 0.96
Beta-Alanine SCHEMBL29449904 0.96
Beta-Alanine SCHEMBL23190 0.96 LMNA (0.65)
Beta-Alanine SCHEMBL871990 0.93
Beta-Alanine SCHEMBL20516078 0.93

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134292-B Atenolol hapten, artificial antigen and antibody, and preparation method and application thereof 北京勤邦生物技术有限公司 2022-05-17 CN claimed
CN-114208835-A Application of 3-trifluoromethylpyrazole compounds in preventing and treating agricultural fungal diseases 河南省农业科学院植物保护研究所 2022-03-22 CN claimed
CN-104876950-B Sulfur-containing thick-hetero tetracyclic azasugar derivative and preparation method thereof 河北大学 2017-05-24 CN claimed
CN-103936666-B A kind of synthetic method of 2,4-dioxopiperidine Gansu research institute of chemical industry (CN) 2016-01-20 CN claimed
CN-104876950-A Sulfur-containing thick and hetero tetracyclic azasugar derivative and preparation method and application thereof UNIV HEBEI 2015-09-02 CN claimed
CN-102086200-A Method for quickly synthesizing cis-octahydropyrrolo[3,2-b]pyrrole SHANGHAI PHARMATECHS CO LTD 2011-06-08 CN claimed
CN-102086201-A Method for quickly synthesizing cis-octahydropyrrolo[3,2-b]pyrrole WUXI APP INC 2011-06-08 CN claimed
CN-101514337-A Method for separating and extracting adenosine deaminase from cattle placenta BEIJING 3S CENTURY TECHNOLOGIE (CN) 2009-08-26 CN claimed
CN-1778944-A Determination of creatinine content and creatinine diagnostic reagent kit AIJIE BIOLOG SCIENCE AND TECHN (CN) 2006-05-31 CN claimed
CN-1778939-A Creatinine content determination and creatinine diagnostic reagent kit AIJIE BIOLOG SCIENCE AND TECHN (CN) 2006-05-31 CN claimed
CN-1749406-A Method for measuring 5'-nucleotidase activity and diagnostic reagent kit of 5'-nucleotidase WANG ERZHONG (CN) 2006-03-22 CN claimed
CN-1749411-A Method for measuring 5'-nucleotidase activity and diagnostic kit of 5'-nucleotidase WANG ERZHONG (CN) 2006-03-22 CN claimed
CN-1749410-A Method for measuring 5'-nucleotidase activity and diagnostic kit of 5'-nucleotidase WANG ERZHONG (CN) 2006-03-22 CN claimed
CN-1749405-A Method for measuring 5'-nucleotidase activity and Diagnostic reagent kit of 5'-nucleotidase WANG ERZHONG (CN) 2006-03-22 CN claimed
CN-1749408-A Method for measuring 5'-nucleotidase activity and diagnostic reagent kit of 5'-nucleotidase WANG ERZHONG (CN) 2006-03-22 CN claimed
CN-1749407-A Method for measuring 5'-nucleotidase activity and diagnostic reagent kit of 5'-nucleotidase WANG ERZHONG (CN) 2006-03-22 CN claimed
CN-1746316-A Determination of adenosine deaminase activity and diagnostic kit of adenosine deaminase WANG ERZHONG (CN) 2006-03-15 CN claimed
CN-1746317-A Determination of adenosine deaminase activity and diagnostic kit of adenosine deaminase WANG ERZHONG (CN) 2006-03-15 CN claimed
CN-1641041-A Adenosin-deaminase diagnostic kit and adenosine deaminease activity determining method WANG ERZHONG (CN) 2005-07-20 CN claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed