Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. 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 | |
|---|---|---|---|---|
| Water SCHEMBL5495214 | 1.00 | — | — | |
| Water SCHEMBL8671253 | 1.00 | — | — | |
| Water SCHEMBL27269067 | 0.87 | — | — | |
| Water SCHEMBL27976575 | 0.87 | — | — | |
| Water SCHEMBL28829372 | 0.87 | — | — | |
| Water SCHEMBL11853728 | 0.82 | CA1 (0.33) | — | |
| Water SCHEMBL11756327 | 0.82 | — | — | |
| Water SCHEMBL9674547 | 0.82 | CA1 (0.33) | — | |
| Water SCHEMBL11762477 | 0.82 | CA1 (0.33) | — | |
| Water SCHEMBL16026709 | 0.82 | CA1 (0.33) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110229151-A | Indolizine class compound, preparation method and the usage | 上海海和药物研究开发有限公司 | 2019-09-13 | — | — | CN | disclosed |
| CN-109790160-A | Pyrido 5-membered aromatic cyclics, preparation method and the usage | 上海海和药物研究开发有限公司 | 2019-05-21 | — | — | CN | disclosed |
| CN-104334557-A | Diacylglycerol acyltransferase 2 inhibitors | PFIZER | 2015-02-04 | — | — | CN | disclosed |
| CN-102557941-A | Preparation method for intermediate compound of derivative of spiro-propyl formyl | CHENGDU CHEMPARTNER CO LTD | 2012-07-11 | — | — | CN | disclosed |
| CN-101426778-A | N-substituted-azacyclylamines as histamine-3 antagonists | WYETH CORP (US) | 2009-05-06 | — | — | CN | disclosed |
| CN-100482635-C | Noval compounds, their use and preparation | PFIZER HEALTH AB (SE) | 2009-04-29 | — | — | CN | disclosed |
| CN-100371076-C | Palladium catalyst composition | WAKO PURE CHEMICAL INDUSTIES L (JP) | 2008-02-27 | — | — | CN | disclosed |
| CN-1681592-A | Palladium catalyst composition | WAKO PURE CHEMICAL INDUSTIES L (JP) | 2005-10-12 | — | — | CN | disclosed |
| CN-1636967-A | Noval compounds, their use and preparation | PFIZER (SE) | 2005-07-13 | — | — | CN | disclosed |
| CN-1251569-A | Novel compounds, their use and process for their preparation | PHARMACIA & UPJOHN AB (SE) | 2000-04-26 | — | — | CN | disclosed |
| US-5424450-A | Angiotensin II receptor blocking imidazolinone derivatives | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1995-06-13 | — | — | US | disclosed |
| CN-1090574-A | Pyrrole thiocarboxamide insecticidal and miticide | AMERICAN CYANAMID CO (US) | 1994-08-10 | — | — | CN | disclosed |
| EP-0601039-A1 | ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLINONE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1994-06-15 | — | — | EP | disclosed |
| EP-0229329-B1 | BENZAZEPINE DERIVATIVES | E.R. Squibb & Sons, Inc. (US) | 1993-07-28 | — | — | EP | disclosed |
| CN-1021403-C | AGRICULTURAL COMPOSITION CONTAINING PROPENOIC ACID DERIVANT | ICI PLC (GB) | 1993-06-30 | — | — | CN | disclosed |
| WO-1993004046-A1 | ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLINONE DERIVATIVES | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1993-03-04 | — | — | WO | disclosed |
| CN-1038099-A | Alpha-adrenergic aceptor antagonist | SMITHKLINE BECKMAN CORP (US) | 1989-12-20 | — | — | CN | disclosed |
| US-4752645-A | Benzazepine derivatives | E. R. SQUIBB & SONS, INC. (US) | 1988-06-21 | — | — | US | disclosed |
| CN-87103543-A | Fungicidal agents | — | 1988-02-24 | — | — | CN | disclosed |
| EP-0229329-A1 | Benzazepine derivatives | E.R. Squibb & Sons, Inc. (US) | 1987-07-22 | — | — | EP | disclosed |