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 | |
|---|---|---|---|---|
| SCHEMBL24257 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL6516228 | 0.93 | — | — | |
| Monoethanolamine SCHEMBL8518108 | 0.88 | CYP2D6 (0.50) | — | |
| Monoethanolamine SCHEMBL7773008 | 0.83 | CYP2D6 (0.45) | — | |
| Acetic Acid SCHEMBL6291304 | 0.83 | KDM4E (0.52) | — | |
| SCHEMBL8518111 | 0.83 | CYP2D6 (0.45) | — | |
| SCHEMBL12091760 | 0.81 | CYP2D6 (0.50) | — | |
| SCHEMBL8518107 | 0.81 | CYP2D6 (0.43) | — | |
| Ethylamine SCHEMBL7773007 | 0.79 | CYP2D6 (0.41) | — | |
| Ethylamine SCHEMBL7773015 | 0.79 | CYP2D6 (0.41) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240308989-A1 | PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORP (FI) | 2024-09-19 | — | — | US | disclosed |
| US-12030871-B2 | Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors | ORION CORPORATION (FI) | 2024-07-09 | — | — | US | disclosed |
| CN-116162084-A | Pyran derivatives as CYP11A1 inhibitors | 奥赖恩公司 | 2023-05-26 | — | — | CN | disclosed |
| CN-110139861-B | Pyran derivatives as CYP11A1 (cytochrome P450 monooxygenase 11A 1) inhibitors | 奥赖恩公司 | 2022-12-30 | — | — | CN | disclosed |
| US-20210347765-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORPORATION | 2021-11-11 | — | — | US | disclosed |
| EP-3558981-B1 | PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORP (FI) | 2021-05-26 | — | — | EP | disclosed |
| US-20200299280-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORP (FI) | 2020-09-24 | — | — | US | disclosed |
| US-10717726-B2 | Pyran dervatives as CYP11A1 (cytochrome P450 monooxygenase 11A1) inhibitors | ORION CORPORATION (FI) | 2020-07-21 | — | — | US | disclosed |
| EP-3558981-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | Orion Corporation (FI) | 2019-10-30 | — | — | EP | disclosed |
| WO-2018115591-A1 | PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS | ORION CORPORATION (FI) | 2018-06-28 | — | — | WO | disclosed |
| US-8735401-B2 | Thienopyrimidine compounds and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-05-27 | — | — | US | disclosed |
| EP-1591446-B1 | Thienopyrimidine compounds and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2013-03-06 | — | — | EP | disclosed |
| US-20120071486-A1 | THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-03-22 | — | — | US | disclosed |
| US-8058280-B2 | Substituted thieno[2,3-d]pyrimidin-2,4-dione compounds and uses thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2011-11-15 | — | — | US | disclosed |
| US-20080108623-A1 | N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-05-08 | — | — | US | disclosed |
| US-7300935-B2 | Thienopyrimidine compounds and use thereof | TAKEDA PHARMACEUTICAL COMPANY (JP) | 2007-11-27 | — | — | US | disclosed |
| US-20060160829-A1 | N-(4-(1-(2,6-difluorobenzyl)-5(((2-methoxyethyl)(methyl)amino)methyl)-2,4-dioxo-3-(2-pyridinyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-6-yl)phenyl)-N'-methoxyurea; gonadotropin releasing hormone (GnRH) antagonist; sex hormone dependent disease, antitumor agent | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2006-07-20 | — | — | US | disclosed |
| EP-1591446-A1 | THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF | Takeda Chemical Industries, Ltd. (JP) | 2005-11-02 | — | — | EP | disclosed |
| US-5130466-A | DIISOCYANATE, A PROCESS FOR ITS PRODUCTION AND ITS USE | BAYER AKTIENGESELLSCHAFT (DE) | 1992-07-14 | — | — | US | disclosed |
| EP-0265668-A1 | Process for the preparation of a Diisocyanate | BAYER AG (DE) | 1988-05-04 | — | — | EP | disclosed |