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 SCHEMBL8843793 | 1.00 | — | — | |
| SCHEMBL6054 | 0.95 | — | — | |
| SCHEMBL28268866 | 0.90 | — | — | |
| SCHEMBL28254158 | 0.90 | — | — | |
| Alcohol SCHEMBL28179609 | 0.82 | — | — | |
| SCHEMBL28029369 | 0.76 | — | — | |
| Ether SCHEMBL177065 | 0.76 | — | — | |
| Acetone SCHEMBL5582258 | 0.76 | — | — | |
| Formic Acid SCHEMBL30567257 | 0.73 | — | — | |
| SCHEMBL25224412 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024061370-A1 | PYRIMIDINE-FUSED RING COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2024-03-28 | — | — | WO | disclosed |
| CN-105859735-A | TRICYCLIC PI3K INHIBITOR COMPOUNDS AND METHODS OF USE | 霍夫曼-拉罗奇有限公司 | 2016-08-17 | — | — | CN | disclosed |
| CN-103313989-B | tricyclic PI3K inhibitor compounds and methods of use | HOFFMAN-LA ROCHE LTD. (CH) | 2016-05-04 | — | — | CN | disclosed |
| US-20150238506-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL (JP) | 2015-08-27 | — | — | US | disclosed |
| EP-2018863-B9 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2015-02-18 | — | — | EP | disclosed |
| EP-2018863-B1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL (JP) | 2014-08-13 | — | — | EP | disclosed |
| CN-103906743-A | Compounds for binding to the platelet specific glycoprotein IIb/IIIa and their use for imaging of thrombi | PIRAMAL IMAGING SA | 2014-07-02 | — | — | CN | disclosed |
| EP-2742936-A1 | Fused heterocyclic compound and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2014-06-18 | — | — | EP | disclosed |
| EP-2727585-A1 | In-vivo screening method | Takeda Pharmaceutical Company Limited (JP) | 2014-05-07 | — | — | EP | disclosed |
| CN-103313989-A | Tricyclic PI3K inhibitor compounds and methods of use | HOFFMANN LA ROCHE | 2013-09-18 | — | — | CN | disclosed |
| US-20090131402-A1 | Fused heterocyclic compound and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED | 2009-05-21 | — | — | US | disclosed |
| EP-2018863-A1 | FUSED HETEROCYCLIC COMPOUND AND USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2009-01-28 | — | — | EP | disclosed |
| CN-101208342-A | Pyrrolobenzodiazepine * pyridine carboxamides and derivatives as follicle stimulating hormone receptor antagonists | WYETH CORP (US) | 2008-06-25 | — | — | CN | disclosed |
| EP-1343789-A1 | TRICYCLIC DERIVATIVES OF INDOLE WITH ANTIANGIOGENIC ACTIVITY | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002036597-A1 | TRICYCLIC DERIVATIVES OF INDOLE WITH ANTIANGIOGENIC ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-05-10 | — | — | WO | disclosed |
| US-5776964-A | HYPOTENSIVE AGENTS; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1998-07-07 | — | — | US | disclosed |
| US-5521206-A | HYPOTENSIVE AGENTS, TREATMENT OF ATHEROSCLEROSIS | BAYER AKTIENGESELLSCHAFT (DE) | 1996-05-28 | — | — | US | disclosed |
| CN-1031339-C | Heterocyclically substituted phenylacetic acid derivatives, processes for their preparation and their use in medicaments | BAYER AG (DE) | 1996-03-20 | — | — | CN | disclosed |
| CN-1066065-A | The phenylacetic acid derivatives of heterocyclic substituted and method for making thereof and pharmaceutical use | BAYER AG (DE) | 1992-11-11 | — | — | CN | disclosed |
| CN-86108936-A | Heterogeneous ring compound | — | 1987-07-15 | — | — | CN | disclosed |