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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL82651 | 1.00 | — | — | |
| SCHEMBL1637335 | 0.98 | — | — | |
| SCHEMBL2298285 | 0.98 | — | — | |
| Oxalic Acid SCHEMBL12521042 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL15111553 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL15111543 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL15111541 | 0.86 | — | — | |
| Hydrochloric Acid SCHEMBL574588 | 0.85 | — | — | |
| SCHEMBL15121099 | 0.84 | — | — | |
| SCHEMBL15111546 | 0.84 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107991406-A | Detection method of aprepitant intermediate | 中山奕安泰医药科技有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-107991406-A | Detection method of aprepitant intermediate | 中山奕安泰医药科技有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-106967057-A | A kind of efficient preparation technology of Aprepitant | 四川制药制剂有限公司 | 2017-07-21 | — | — | CN | disclosed |
| US-8940738-B2 | Pyrimidone compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2015-01-27 | — | — | US | disclosed |
| US-20120220591-A1 | PYRIMIDONE COMPOUNDS | SANOFI (FR) | 2012-08-30 | — | — | US | disclosed |
| EP-2464639-A1 | PYRIMIDONE DERIVATIVES USED AS TAU PROTEIN KINASE 1 INHIBITORS | Mitsubishi Tanabe Pharma Corporation (JP) | 2012-06-20 | — | — | EP | disclosed |
| US-7572793-B2 | 3-Substituted-4-pyrimidone derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-08-11 | — | — | US | disclosed |
| CN-1319950-C | 3-substituted-4-pyrimidone derivatives | MITSUBISHI PHARMA CORP (JP) | 2007-06-06 | — | — | CN | disclosed |
| EP-1427709-B1 | 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES | MITSUBISHI PHARMA CORP (JP) | 2005-12-14 | — | — | EP | disclosed |
| US-20050130967-A1 | 3-Substituted-4-pyrimidone derivatives | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2005-06-16 | — | — | US | disclosed |
| CN-1555367-A | 3-substituted-4-pyrimidone derivatives | ������ҩ��ʽ���� | 2004-12-15 | — | — | CN | disclosed |
| EP-1427709-A1 | 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES | Mitsubishi Pharma Corporation (JP) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003027080-A1 | 3-SUBSTITUTED-4-PYRIMIDONE DERIVATIVES | MITSUBISHI PHARMA CORPORATION (JP) | 2003-04-03 | — | — | WO | disclosed |