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.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 16/20 | 0.34 |
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.30 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.30 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.33 |
| ▸ | DPP8 | Q6V1X1 | 7/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.31 |
| ▸ | FAP | Q12884 | 2/20 | 0.30 |
| ▸ | DPP9 | Q86TI2 | 2/20 | 0.30 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL212149 | 0.98 | MGLL (0.36) | MGLLDPP4LIPGDPP8BRD4 | |
| Hydrochloric Acid SCHEMBL3841448 | 0.91 | DPP4 (0.33) | MGLLDPP4LIPGDPP8BRD4 | |
| SCHEMBL19005845 | 0.84 | MGLL (0.37) | MGLLLIPG | |
| SCHEMBL1971368 | 0.84 | MGLL (0.34) | MGLLDPP4LIPGDPP8DPP7 | |
| SCHEMBL3841455 | 0.82 | DPP4 (0.34) | DPP4DPP8BRD4FAPHTR2A | |
| SCHEMBL32679285 | 0.81 | — | — | |
| SCHEMBL13093275 | 0.80 | MGLL (0.33) | MGLL | |
| Hydrochloric Acid SCHEMBL573084 | 0.79 | MGLL (0.34) | MGLL | |
| SCHEMBL19005247 | 0.77 | MGLL (0.34) | MGLL | |
| SCHEMBL4244840 | 0.75 | MGLL (0.31) | MGLL |
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 321 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120040456-A | Method for preparing sitagliptin phosphate | 杭州新曦科技有限公司 | 2025-05-27 | — | — | CN | claimed |
| CN-119390698-A | Sitagliptin Synthesis method of intermediate | 同济大学 | 2025-02-07 | — | — | CN | claimed |
| WO-2024119985-A1 | METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE PYRAZINE HYDROCHLORIDE | 台州达辰药业有限公司 | 2024-06-13 | — | — | WO | claimed |
| US-20240024312-A1 | PHARMACEUTICAL COMPOSITIONS OF SITAGLIPTIN | ZYDUS LIFESCIENCES LIMITED (IN) | 2024-01-25 | — | — | US | claimed |
| CN-116082342-A | Preparation method of sitagliptin intermediate pyrazine hydrochloride | 台州达辰药业有限公司 | 2023-05-09 | — | — | CN | claimed |
| WO-2023021529-A1 | IMPROVED ENZYMATIC SYNTHESIS OF SITAGLIPTIN OR ITS SALTS THEREOF | FERMENTA BIOTECH LIMITED (IN) | 2023-02-23 | — | — | WO | claimed |
| CN-115677710-A | Preparation method of nitrosamine impurities in sitagliptin | 江苏德源药业股份有限公司 | 2023-02-03 | — | — | CN | claimed |
| CN-115650987-A | Method for preparing sitagliptin intermediate substituted pyrazine hydrochloride | 长沙创新药物工业技术研究院有限公司 | 2023-01-31 | — | — | CN | claimed |
| CN-115385919-A | Synthetic method of sitagliptin | 江苏阿尔法药业股份有限公司 | 2022-11-25 | — | — | CN | claimed |
| CN-112358484-B | Preparation method of sitagliptin intermediate | 江苏八巨药业有限公司 | 2022-04-19 | — | — | CN | claimed |
| CN-112358484-A | Preparation method of sitagliptin intermediate | 江苏八巨药业有限公司 | 2021-02-12 | — | — | CN | claimed |
| CN-111057061-A | Preparation method of tert-butoxycarbonyl-sitagliptin | 台州保灵药业有限公司 | 2020-04-24 | — | — | CN | claimed |
| WO-2015162506-A1 | PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND NOVEL INTERMEDIATES | SUVEN LIFE SCIENCES LIMITED (IN) | 2015-10-29 | — | — | WO | claimed |
| US-8624026-B2 | Method of preparing sitagliptin and intermediates used therein | HANMI SCIENCE CO., LTD (KR) | 2014-01-07 | — | — | US | claimed |
| US-8476437-B2 | Process for preparation of (2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro [1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl]-l-(2,4,5-trifluorophenyl)butan-2-amine and new impurities in preparation thereof | CADILA HEALTHCARE LIMITED (IN) | 2013-07-02 | — | — | US | claimed |
| US-20110213149-A1 | PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2011-09-01 | — | — | US | claimed |
| EP-2331545-A2 | IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE&NEW IMPURITIES IN PREPARATION THEREOF | Cadila Healthcare Limited (IN) | 2011-06-15 | — | — | EP | claimed |
| WO-2010122578-A2 | PROCESS FOR THE PREPARATION OF SITAGLIPTIN AND ITS INTERMEDIATES | MSN LABORATORIES LIMITED (IN) | 2010-10-28 | — | — | WO | claimed |
| WO-2010032264-A2 | IMPROVED PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF | CADILA HEALTHCARE LIMITED (IN) | 2010-03-25 | — | — | WO | claimed |
| US-20090192326-A1 | Preparation of sitagliptin intermediate | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-07-30 | — | — | US | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090192326-A1 | Preparation of sitagliptin intermediate | DPP4, DPP7, DPP3 | DPP4 1/4885ACE 264/4885HTR2A 538/4885 |
| US-20240024312-A1 | PHARMACEUTICAL COMPOSITIONS OF SITAGLIPTIN | DPP4, NT5C, DPP7 | DPP4 1/4885ACE 1057/4885HTR2A 345/4885 |
| US-20110213149-A1 | PROCESS FOR PREPARATION OF (2R)-4-OXO-4-[3- (TRIFLUOROMETHYL)-5,6-DIHYDRO [1,2,4]-TRIAZOLO[4,3-A]PYRAZIN- 7(8H)-YL]-L-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE & NEW IMPURITIES IN PREPARATION THEREOF | BPNT1, GART, SLC7A1 | DPP4 1094/4885ACE 910/4885HTR2A 412/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.