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.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGK1 | P00558 | 1/20 | 0.50 |
| ▸ | PGK2 | P07205 | 1/20 | 0.50 |
| ▸ | PGD | P52209 | 3/20 | 0.47 |
| ▸ | MPI | P34949 | 1/20 | 0.47 |
| ▸ | LPAR5 | Q9H1C0 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | LPAR1 | Q92633 | 3/20 | 0.42 |
| ▸ | LPAR6 | P43657 | 1/20 | 0.42 |
| ▸ | LPAR4 | Q99677 | 1/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 1/20 | 0.42 |
| ▸ | LPAR3 | Q9UBY5 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 SCHEMBL15660144 | 1.00 | PGK1 (0.50) | PGK1PGK2PGDMPILPAR5 | |
| Water SCHEMBL1486861 | 0.98 | PGK1 (0.48) | PGK1PGK2PGDMPILPAR5 | |
| Water SCHEMBL2477275 | 0.98 | PGK1 (0.48) | PGK1PGK2PGDMPILPAR5 | |
| Water SCHEMBL1568772 | 0.98 | PGK1 (0.48) | PGK1PGK2PGDMPILPAR5 | |
| Water SCHEMBL3235593 | 0.98 | PGK1 (0.48) | PGK1PGK2PGDMPILPAR5 | |
| Water SCHEMBL23355109 | 0.98 | PGK1 (0.48) | PGK1PGK2PGDMPILPAR5 | |
| Water SCHEMBL28096535 | 0.98 | PGK1 (0.48) | PGK1PGK2PGDMPILPAR5 | |
| SCHEMBL14278848 | 0.98 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR5 | |
| SCHEMBL213379 | 0.98 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR5 | |
| SCHEMBL7340 | 0.98 | PGK1 (0.52) | PGK1PGK2PGDMPILPAR5 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118056897-A | Odontoblast differentiation method of stem cells | 中国科学院深圳先进技术研究院 | 2024-05-21 | — | — | CN | claimed |
| CN-115531600-B | Resveratrol micelle wound dressing and preparation method thereof | 海南医学院 | 2023-08-25 | — | — | CN | claimed |
| CN-110536679-B | Veterinary compositions for treating mastitis and related methods | 硕腾服务有限责任公司 | 2023-03-31 | — | — | CN | claimed |
| CN-115813922-A | Medicine for resisting periodontitis and preparation method thereof | 吉林大学 | 2023-03-21 | — | — | CN | claimed |
| CN-115708804-A | Preparation method and equipment of stem cell exosome repairing gel | 福建汉氏联合干细胞科技有限公司 | 2023-02-24 | — | — | CN | claimed |
| CN-115531600-A | Resveratrol micelle wound dressing and preparation method thereof | 海南医学院 | 2022-12-30 | — | — | CN | claimed |
| EP-2965747-A1 | Dialysate acid precursor composition enriched with phosphorous | Nipro Renal Solutions Spain SRL (ES) | 2016-01-13 | — | — | EP | claimed |
| CN-101620098-A | Inorganic phosphorus (phosphate radical) diagnosis/determination kit and method for determining inorganic phosphorus (phosphate radical) concentration-834 | SUZHOU ANJ BIOTECH CO LTD | 2010-01-06 | — | — | CN | claimed |
| CN-101464390-A | Monoamine oxidase diagnostic reagent kit and method for measuring active concentration of monoamine oxidase | SUZHOU ANJ BIOTECH CO LTD (CN) | 2009-06-24 | — | — | CN | claimed |
| US-4463095-A | Process for producing α-glycerophosphate oxidase | TOYO BOSEKI KABUSHIKI KAISHA (JP) | 1984-07-31 | — | — | US | claimed |
| CN-118056897-A | Odontoblast differentiation method of stem cells | 中国科学院深圳先进技术研究院 | 2024-05-21 | — | — | CN | disclosed |
| CN-114728925-B | Amine derivative serving as SSAO/VAP-1 inhibitor and application thereof | 广东东阳光药业股份有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-110914234-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-115708804-A | Preparation method and equipment of stem cell exosome repairing gel | 福建汉氏联合干细胞科技有限公司 | 2023-02-24 | — | — | CN | disclosed |
| CN-115634221-A | Application of betaine in regulating mesenchymal stem cell adipogenic and osteogenic differentiation | 拜澳泰克(沈阳)生物医学集团有限公司 | 2023-01-24 | — | — | CN | disclosed |
| WO-2021076851-A1 | BIOLOGICALLY SYNTHESIZED HYDROXYAPATITE FOR BONE REGENERATION AND TISSUE ENGINEERING | BIOVENTURES, LLC (US) | 2021-04-22 | — | — | WO | disclosed |
| CN-111759797-A | Novel preparation of dithranol for treating psoriasis and preparation method thereof | 潍坊医学院附属医院 | 2020-10-13 | — | — | CN | disclosed |
| EP-2965747-A1 | Dialysate acid precursor composition enriched with phosphorous | Nipro Renal Solutions Spain SRL (ES) | 2016-01-13 | — | — | EP | disclosed |
| CN-102083422-A | Fenofibrate formulation with enhanced oral bioavailability | PANACEA BIOTEC LTD | 2011-06-01 | — | — | CN | disclosed |
| CN-101464390-A | Monoamine oxidase diagnostic reagent kit and method for measuring active concentration of monoamine oxidase | SUZHOU ANJ BIOTECH CO LTD (CN) | 2009-06-24 | — | — | CN | disclosed |