Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18747 | 0.96 | — | — | |
| Sulfuric Acid SCHEMBL9472670 | 0.92 | CA5A (0.50) | — | |
| SCHEMBL4698217 | 0.92 | — | — | |
| Fluoride SCHEMBL4760597 | 0.92 | — | — | |
| SCHEMBL8164940 | 0.92 | — | — | |
| SCHEMBL2828595 | 0.92 | — | — | |
| SCHEMBL7287840 | 0.92 | — | — | |
| Water SCHEMBL11136920 | 0.92 | — | — | |
| SCHEMBL1290481 | 0.92 | — | — | |
| Hydroxyamine SCHEMBL2082692 | 0.92 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2694466-B1 | PREPARATION OF SITAGLIPTIN INTERMEDIATES | LEK PHARMACEUTICALS (SI) | 2018-10-24 | — | — | EP | disclosed |
| US-9174930-B2 | Preparation of sitagliptin intermediates | LEK PHARMACEUTICALS D.D. (SI) | 2015-11-03 | — | — | US | disclosed |
| US-20140213810-A1 | PREPARATION OF SITAGLIPTIN INTERMEDIATES | LEK PHARMACEUTICALS D.D. (SI) | 2014-07-31 | — | — | US | disclosed |
| EP-2694466-A2 | PREPARATION OF SITAGLIPTIN INTERMEDIATES | LEK Pharmaceuticals d.d. (SI) | 2014-02-12 | — | — | EP | disclosed |
| WO-2012136383-A2 | PREPARATION OF SITAGLIPTIN INTERMEDIATES | LEK PHARMACEUTICALS D.D. (SI) | 2012-10-11 | — | — | WO | disclosed |
| EP-2508506-A1 | Preparation of sitagliptin intermediates | LEK Pharmaceuticals d.d. (SI) | 2012-10-10 | — | — | EP | disclosed |
| CN-102282264-A | Improved process for producing glucose from lignocellulosic feedstocks | — | 2011-12-14 | — | — | CN | disclosed |
| US-6339079-B1 | FOR THERAPY AND DIAGNOSIS OF ESTROGEN-DEPENDENT TUMORS | ID PHARMA GMBH (DE) | 2002-01-15 | — | — | US | disclosed |
| CN-1055903-C | Technology for treatment of waste liquid containing cyanogen by ion exchange method | GAO DAMING (CN) | 2000-08-30 | — | — | CN | disclosed |
| CN-1141886-A | Technology for treatment of waste liquid containing cyanogen by ion exchange method | GAO DAMING (CN) | 1997-02-05 | — | — | CN | disclosed |
| US-4328119-A | MICROENCAPSULATION OF HYDROPHOBIC PARTICLES BY AN ANION-MODIFIED AMINO RESIN IN AN AQUEOUS ANIONIC COLLOID-CONTAINING DISPERSION | KANZAKI PAPER MANUFACTURING CO., LTD. (JP) | 1982-05-04 | — | — | US | disclosed |
| US-4001201-A | SULFONYL- | CIBA-GEIGY AG (CH) | 1977-01-04 | — | — | US | disclosed |