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 SCHEMBL27804424 | 0.89 | — | — | |
| Water SCHEMBL23406639 | 0.89 | — | — | |
| Water SCHEMBL27825194 | 0.89 | — | — | |
| SCHEMBL1934876 | 0.89 | — | — | |
| SCHEMBL4445678 | 0.80 | — | — | |
| SCHEMBL22585360 | 0.80 | — | — | |
| Water SCHEMBL28915551 | 0.80 | — | — | |
| Water SCHEMBL28413610 | 0.80 | — | — | |
| Water SCHEMBL1720245 | 0.78 | — | — | |
| Water SCHEMBL21403138 | 0.78 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111653790-B | All-solid-state iron-air battery | 中国科学院上海应用物理研究所 | 2021-12-03 | — | — | CN | claimed |
| CN-111653790-A | All-solid-state iron-air battery | 中国科学院上海应用物理研究所 | 2020-09-11 | — | — | CN | claimed |
| US-20090142642-A1 | Cathode structures for solid oxide fuel cells | HONDA MOTOR CO., LTD. (JP) | 2009-06-04 | — | — | US | claimed |
| WO-2008088773-A1 | CATHODE STRUCTURES FOR SOLID OXIDE FUEL CELLS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2008-07-24 | — | — | WO | claimed |
| US-11784331-B2 | SOFC-conduction | UPSTART POWER, INC. (US) | 2023-10-10 | — | — | US | disclosed |
| CN-111653790-B | All-solid-state iron-air battery | 中国科学院上海应用物理研究所 | 2021-12-03 | — | — | CN | disclosed |
| US-20210167406-A1 | SOFC-CONDUCTION | UPSTART POWER, INC. (US) | 2021-06-03 | — | — | US | disclosed |
| CN-111653790-A | All-solid-state iron-air battery | 中国科学院上海应用物理研究所 | 2020-09-11 | — | — | CN | disclosed |
| US-20090142642-A1 | Cathode structures for solid oxide fuel cells | HONDA MOTOR CO., LTD. (JP) | 2009-06-04 | — | — | US | disclosed |
| WO-2008088773-A1 | CATHODE STRUCTURES FOR SOLID OXIDE FUEL CELLS | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) | 2008-07-24 | — | — | WO | disclosed |