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 SCHEMBL27916199 | 1.00 | — | — | |
| Water SCHEMBL27125556 | 1.00 | — | — | |
| Water SCHEMBL27791739 | 1.00 | — | — | |
| Water SCHEMBL6535394 | 1.00 | — | — | |
| Water SCHEMBL43425 | 1.00 | — | — | |
| Water SCHEMBL277433 | 1.00 | — | — | |
| Water SCHEMBL10767714 | 0.93 | — | — | |
| Zinc Ion SCHEMBL133618 | 0.91 | — | — | |
| Zinc Ion SCHEMBL8581058 | 0.91 | — | — | |
| Zinc Ion SCHEMBL8749572 | 0.91 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070068071-A1 | Compositions and methods for hydrogen generation | HITACHI, LTD. (JP) | 2007-03-29 | — | — | US | claimed |
| WO-2007035845-A2 | COMPOSITIONS AND METHODS FOR HYDROGEN GENERATION | MILLENNIUM CELL, INC. (US) | 2007-03-29 | — | — | WO | claimed |
| CN-117603508-A | Low-heat-generation tire wirecord fabric rubber composition and preparation method thereof | 中策橡胶集团股份有限公司 | 2024-02-27 | — | — | CN | disclosed |
| CN-117402764-A | Bacillus subtilis and oil displacement microbial agent and application thereof in improving crude oil recovery ratio | 中国石油天然气股份有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-117384471-A | Halogen-free flame-retardant PBT (polybutylene terephthalate) composition and preparation method thereof | 武汉金发科技有限公司 | 2024-01-12 | — | — | CN | disclosed |
| CN-113678217-B | Delamination-resistant solid electrolytic capacitor | 京瓷AVX元器件公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-110240173-B | 112 zinc borate flame retardant and preparation method and application thereof | 山东泰星新材料股份有限公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-113678217-A | Anti-layering solid electrolytic capacitor | 阿维科斯公司 | 2021-11-19 | — | — | CN | disclosed |
| CN-110590336-B | Inorganic powder material with self-healing sintering function and preparation method and application thereof | 河南鼎天新材料有限公司 | 2021-10-19 | — | — | CN | disclosed |
| CN-109111656-B | PVC cable material and preparation method thereof | 湖南惟楚线缆高分子材料有限公司 | 2021-02-26 | — | — | CN | disclosed |
| CN-110590336-A | Inorganic powder material with self-healing sintering function and preparation method and application thereof | 河南鼎天新材料有限公司 | 2019-12-20 | — | — | CN | disclosed |
| CN-105070370-A | Compression-resistant and corrosion-resistant cable for ships | Anhui huayu cable group co ltd | 2015-11-18 | — | — | CN | disclosed |
| CN-103524867-A | Radiation cross-linking type low-smoke halogen-free flame-retardant polyolefin cable material for photovoltaic cable | Wuhu Hangtian Special Cable Factory | 2014-01-22 | — | — | CN | disclosed |
| US-20080172932-A1 | Compositions and methods for hydrogen generation | MILLENNIUM CELL, INC. | 2008-07-24 | — | — | US | disclosed |
| US-20070068071-A1 | Compositions and methods for hydrogen generation | HITACHI, LTD. (JP) | 2007-03-29 | — | — | US | disclosed |
| WO-2007035845-A2 | COMPOSITIONS AND METHODS FOR HYDROGEN GENERATION | MILLENNIUM CELL, INC. (US) | 2007-03-29 | — | — | WO | disclosed |
| US-4435459-A | SYNERGISTIC FILLER OF ALUMINUM HYDROXIDE, ZINC BORATE HYDRATE, LEAD COMPOUND AND ANTIMONY COMPOUND; AIRCRAFT | THE DOW CHEMICAL CO. (US) | 1984-03-06 | — | — | US | disclosed |
| US-4397978-A | POLYURETHANE-BACKED CARPENTS FOR AIRPLANES | THE DOW CHEMICAL COMPANY (US) | 1983-08-09 | — | — | US | disclosed |