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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 5/20 | 0.97 |
| ▸ | NSD2 | O96028 | 4/20 | 0.97 |
| ▸ | DUSP3 | P51452 | 2/20 | 0.97 |
| ▸ | PTPN5 | P54829 | 2/20 | 0.97 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.97 |
| ▸ | NT5E | P21589 | 4/20 | 0.73 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.63 |
| ▸ | PRMT1 | Q99873 | 2/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PLAU | P00749 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29399528 | 0.98 | CASP6 (1.00) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL11413465 | 0.98 | CASP6 (1.00) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL154124 | 0.98 | CASP6 (1.00) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL27170421 | 0.97 | CASP6 (0.97) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL4115392 | 0.97 | CASP6 (0.97) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL28912220 | 0.97 | CASP6 (0.97) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| Urea SCHEMBL11492396 | 0.94 | CASP6 (0.91) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL16552797 | 0.92 | CASP6 (0.88) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL9135678 | 0.88 | CASP6 (0.81) | CASP6NSD2DUSP3PTPN5PTPN11 | |
| SCHEMBL10597126 | 0.88 | CASP6 (0.81) | CASP6NSD2DUSP3PTPN5PTPN11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0515379-A4 | ELECTRO-BLOTTING OF ELECTROPHORETICALLY RESOLVED FLUORESCENT-LABELED SACCHARIDES AND DETECTION OF ACTIVE STRUCTURES WITH PROTEIN PROBES | GLYCOMED INC (US) | 1994-09-14 | — | — | EP | claimed |
| EP-0515379-A1 | ELECTRO-BLOTTING OF ELECTROPHORETICALLY RESOLVED FLUORESCENT-LABELED SACCHARIDES AND DETECTION OF ACTIVE STRUCTURES WITH PROTEIN PROBES | GLYCOMED INCORPORATED (US) | 1992-12-02 | — | — | EP | claimed |
| US-5094740-A | TWO-DIMENSIONAL ELECTROPHORETIC SEPARATION OF CARBOHYDRATES | GLYCOMED, INC. (US) | 1992-03-10 | — | — | US | claimed |
| WO-1991012276-A1 | ELECTRO-BLOTTING OF ELECTROPHORETICALLY RESOLVED FLUORESCENT-LABELED SACCHARIDES AND DETECTION OF ACTIVE STRUCTURES WITH PROTEIN PROBES | GLYCOMED INCORPORATED (US) | 1991-08-22 | — | — | WO | claimed |
| WO-1991012275-A1 | TWO-DIMENSIONAL ELECTROPHORETIC SEPARATION OF CARBOHYDRATES | GLYCOMED INCORPORATED (US) | 1991-08-22 | — | — | WO | claimed |
| US-12421382-B2 | Vehicle composition for inorganic fine particle dispersion, inorganic fine particle-dispersed slurry composition and method for producing inorganic fine particle-dispersed sheet | SEKISUI CHEMICAL CO., LTD. (JP) | 2025-09-23 | — | — | US | disclosed |
| CN-114605764-B | Carrier composition for inorganic microparticle dispersion, slurry composition for inorganic microparticle dispersion, and method for producing inorganic microparticle-dispersed sheet | 积水化学工业株式会社 | 2024-01-19 | — | — | CN | disclosed |
| CN-114605764-A | Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet | 积水化学工业株式会社 | 2022-06-10 | — | — | CN | disclosed |
| CN-112585212-B | Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet | 积水化学工业株式会社 | 2022-04-19 | — | — | CN | disclosed |
| US-20210317296-A1 | VEHICLE COMPOSITION FOR INORGANIC FINE PARTICLE DISPERSION, INORGANIC FINE PARTICLE-DISPERSED SLURRY COMPOSITION AND METHOD FOR PRODUCING INORGANIC FINE PARTICLE-DISPERSED SHEET | SEKISUI CHEMICAL CO., LTD. (JP) | 2021-10-14 | — | — | US | disclosed |
| CN-112585212-A | Carrier composition for inorganic fine particle dispersion, inorganic fine particle dispersion slurry composition, and method for producing inorganic fine particle dispersible tablet | 积水化学工业株式会社 | 2021-03-30 | — | — | CN | disclosed |
| US-20080026191-A1 | Compounds, compositions and processes | FUJIFILM IMAGING COLORANTS LIMITED | 2008-01-31 | — | — | US | disclosed |
| EP-0515379-A4 | ELECTRO-BLOTTING OF ELECTROPHORETICALLY RESOLVED FLUORESCENT-LABELED SACCHARIDES AND DETECTION OF ACTIVE STRUCTURES WITH PROTEIN PROBES | GLYCOMED INC (US) | 1994-09-14 | — | — | EP | disclosed |
| EP-0515379-A1 | ELECTRO-BLOTTING OF ELECTROPHORETICALLY RESOLVED FLUORESCENT-LABELED SACCHARIDES AND DETECTION OF ACTIVE STRUCTURES WITH PROTEIN PROBES | GLYCOMED INCORPORATED (US) | 1992-12-02 | — | — | EP | disclosed |
| US-5094740-A | TWO-DIMENSIONAL ELECTROPHORETIC SEPARATION OF CARBOHYDRATES | GLYCOMED, INC. (US) | 1992-03-10 | — | — | US | disclosed |
| US-5094731-A | ELECTRO-BLOTTING OF ELECTROPHORETICALLY RESOLVED FLUORESCENT-LABELED SACCHARIDES AND DETECTION OF ACTIVE STRUCTURES WITH PROTEIN PROBES | GLYCOMED, INC. (US) | 1992-03-10 | — | — | US | disclosed |
| US-5087337-A | FLUORESCENT TAG FOR SUGAR ELECTROPHORESIS | GLYCOMED, INC. (US) | 1992-02-11 | — | — | US | disclosed |
| WO-1991012276-A1 | ELECTRO-BLOTTING OF ELECTROPHORETICALLY RESOLVED FLUORESCENT-LABELED SACCHARIDES AND DETECTION OF ACTIVE STRUCTURES WITH PROTEIN PROBES | GLYCOMED INCORPORATED (US) | 1991-08-22 | — | — | WO | disclosed |
| WO-1991012520-A1 | FLUORESCENT TAG FOR SUGAR ELECTROPHORESIS | GLYCOMED INCORPORATED (US) | 1991-08-22 | — | — | WO | disclosed |
| WO-1991012275-A1 | TWO-DIMENSIONAL ELECTROPHORETIC SEPARATION OF CARBOHYDRATES | GLYCOMED INCORPORATED (US) | 1991-08-22 | — | — | WO | disclosed |