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 SCHEMBL20854771 | 1.00 | — | — | |
| Water SCHEMBL19762 | 0.82 | — | — | |
| Water SCHEMBL9723088 | 0.82 | — | — | |
| Water SCHEMBL9617508 | 0.82 | — | — | |
| Water SCHEMBL9317662 | 0.82 | — | — | |
| Water SCHEMBL9063269 | 0.82 | — | — | |
| Water SCHEMBL21358072 | 0.82 | — | — | |
| Water SCHEMBL22471762 | 0.82 | — | — | |
| Water SCHEMBL168325 | 0.82 | — | — | |
| Water SCHEMBL10378772 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116482188-A | Hydrogen sensor and manufacturing method thereof | 四川大学 | 2023-07-25 | — | — | CN | claimed |
| CN-112871158-B | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2022-09-09 | — | — | CN | claimed |
| CN-112871158-A | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2021-06-01 | — | — | CN | claimed |
| JP-11151406-A | — | — | None | — | — | JP | disclosed |
| CN-116482188-A | Hydrogen sensor and manufacturing method thereof | 四川大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-112871158-B | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-112871158-B | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-112871158-B | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2022-09-09 | — | — | CN | disclosed |
| CN-112871158-A | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2021-06-01 | — | — | CN | disclosed |
| CN-112871158-A | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2021-06-01 | — | — | CN | disclosed |
| CN-112871158-A | Preparation method of titanium dioxide-palladium composite catalyst | 浙江工业大学上虞研究院有限公司 | 2021-06-01 | — | — | CN | disclosed |
| CN-109223741-A | A kind of purposes of Rimantadine schiff bases | 赵旭萌 | 2019-01-18 | — | — | CN | disclosed |
| CN-109111372-A | A kind of synthetic method of Rimantadine schiff bases | 赵旭萌 | 2019-01-01 | — | — | CN | disclosed |
| CN-108495836-A | N-butanal single stage is converted to 2- ethyl hexanals | 伊士曼化工公司 | 2018-09-04 | — | — | CN | disclosed |
| EP-0590477-B2 | Architectural material using metal oxide exhibiting photocatalytic activity | TAKENAKA CORP (JP) | 2004-10-13 | — | — | EP | disclosed |
| JP-H11151406-A | PHOTOCATALYST FILTER | AQUEOUS RESERCH:KK | 1999-06-08 | — | — | JP | disclosed |
| EP-0590477-B1 | Architectural material using metal oxide exhibiting photocatalytic activity | TAKENAKA CORP (JP) | 1997-07-02 | — | — | EP | disclosed |
| US-5643436-A | Architectural material using metal oxide exhibiting photocatalytic activity | TAKENAKA CORPORATION (JP) | 1997-07-01 | — | — | US | disclosed |
| US-5595813-A | Architectural material using metal oxide exhibiting photocatalytic activity | TAKENAKA CORPORATION (JP) | 1997-01-21 | — | — | US | disclosed |
| EP-0590477-A1 | Architectural material using metal oxide exhibiting photocatalytic activity | TAKENAKA CORPORATION (JP) | 1994-04-06 | — | — | EP | disclosed |