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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 SCHEMBL4479154 | 1.00 | — | — | |
| Water SCHEMBL15902365 | 1.00 | LMNA (0.38) | LMNAALDH1A1CYP3A4ALOX15HIF1A | |
| Water SCHEMBL15902637 | 1.00 | LMNA (0.38) | LMNAALDH1A1CYP3A4ALOX15HIF1A | |
| Water SCHEMBL18345413 | 1.00 | LMNA (0.38) | LMNAALDH1A1CYP3A4ALOX15HIF1A | |
| Water SCHEMBL3326761 | 1.00 | LMNA (0.38) | LMNAALDH1A1CYP3A4ALOX15HIF1A | |
| Water SCHEMBL16010847 | 1.00 | — | — | |
| SCHEMBL23396 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL1963161 | 0.86 | — | — | |
| SCHEMBL1992930 | 0.80 | — | — | |
| SCHEMBL1994070 | 0.80 | — | — |
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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118255808-A | Self-assembled monomolecular film hole transport material based on dimethylindenocarbazole, and preparation method and application thereof | 天津理工大学 | 2024-06-28 | — | — | CN | disclosed |
| CN-118005690-A | Self-assembled monolayer hole transport material and preparation method and application thereof | 苏州励为新材料科技有限公司 | 2024-05-10 | — | — | CN | disclosed |
| CN-117903160-A | Hole transport material with imide as alkyl chain end, and preparation method and application thereof | 天津理工大学 | 2024-04-19 | — | — | CN | disclosed |
| CN-117865990-A | Non-condensed ring thiophene polynuclear hole transport material and preparation method and application thereof | 淮阴工学院 | 2024-04-12 | — | — | CN | disclosed |
| WO-2024071415-A1 | COMPOUND, METAL COMPLEX, CATALYST COMPOSITION FOR OLEFIN POLYMERIZATION, CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER | 日本ポリケム株式会社 | 2024-04-04 | — | — | WO | disclosed |
| CN-117534668-A | Heterocyclic compounds useful as GLP-1 receptor agonists, compositions, formulations and uses thereof | 北京福元医药股份有限公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-117185883-A | Method for preparing carboxylic ester by iron-catalyzed alcohol oxidation esterification | 复旦大学 | 2023-12-08 | — | — | CN | disclosed |
| WO-2023232002-A1 | METHOD FOR PREPARING CARBOXYLATE BY MEANS OF IRON-CATALYZED OXIDATION AND ESTERIFICATION OF ALCOHOL | 复旦大学 | 2023-12-07 | — | — | WO | disclosed |
| CN-112574396-B | 2-fluorophenyl fluorene and pyrrolo-pyrrole-dione copolymer photovoltaic material, preparation method and application | 湖南文理学院 | 2023-11-03 | — | — | CN | disclosed |
| CN-112592464-B | Two-dimensional conjugated 2-chlorophenyl fluorene copolymer photovoltaic material, preparation method and application | 湖南文理学院 | 2023-10-31 | — | — | CN | disclosed |
| CN-108299507-A | The four ring gear metal platinum complexes containing three substituted pyrazolecarboxylics, preparation method and application | 瑞声光电科技(常州)有限公司 | 2018-07-20 | — | — | CN | disclosed |
| CN-107892704-A | Multiple tooth double-nuclear ring metal complex and the device comprising the complex | 浙江工业大学 | 2018-04-10 | — | — | CN | disclosed |
| CN-107602519-A | Based on the difunctional fluorescence probe of coumarine dye Ratio-type and its synthesis and application | 江苏大学 | 2018-01-19 | — | — | CN | disclosed |
| CN-106977528-A | Organic dyestuff containing three Thienopyrroles thiophene and its application in DSSC | 淮阴工学院 | 2017-07-25 | — | — | CN | disclosed |
| CN-104961773-B | The synthesis of annular metal iridium complex and its preparation for polymer white light device | 江西师范大学 | 2017-07-11 | — | — | CN | disclosed |
| CN-105732602-B | Benzofuran analogue used as NS4B inhibitor | 常州寅盛药业有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-104031077-B | A kind of organic semiconducting materials containing tetraphenylethylene and its preparation method and application | 华南理工大学 | 2017-04-05 | — | — | CN | disclosed |
| US-9499464-B2 | Opsin-binding ligands, compositions and methods of use | BIKAM PHARMACEUTICALS, INC. (US) | 2016-11-22 | — | — | US | disclosed |
| CN-103910660-B | A kind of allyl benzene sulfur sulfone replaces-1-propene compound and its synthetic method | 同济大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-105732602-A | Benzofuran analogue used as NS4B inhibitor | 常州寅盛药业有限公司 | 2016-07-06 | — | — | CN | disclosed |