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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GBA1 | P04062 | 1/20 | 0.42 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.32 |
| ▸ | TREH | O43280 | 1/20 | 0.32 |
| ▸ | PYGB | P11216 | 3/20 | 0.32 |
| ▸ | CDA | P32320 | 5/20 | 0.31 |
| ▸ | PYGL | P06737 | 1/20 | 0.31 |
| ▸ | PYGM | P11217 | 1/20 | 0.31 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.31 |
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 SCHEMBL27487332 | 1.00 | LMNA (0.42) | LMNAGBA1NLRP3TREHPYGB | |
| SCHEMBL246685 | 0.98 | LMNA (0.44) | LMNAGBA1NLRP3TREHPYGB | |
| SCHEMBL6509721 | 0.98 | LMNA (0.44) | LMNAGBA1NLRP3TREHPYGB | |
| SCHEMBL14124884 | 0.98 | LMNA (0.44) | LMNAGBA1NLRP3TREHPYGB | |
| SCHEMBL504610 | 0.98 | LMNA (0.44) | LMNAGBA1NLRP3TREHPYGB | |
| SCHEMBL346819 | 0.98 | LMNA (0.44) | LMNAGBA1NLRP3TREHPYGB | |
| Phosphoric Acid SCHEMBL21495145 | 0.91 | LMNA (0.39) | LMNAGBA1NLRP3TREH | |
| SCHEMBL16684264 | 0.85 | — | — | |
| SCHEMBL6531031 | 0.82 | LMNA (0.35) | LMNAGBA1 | |
| SCHEMBL14817456 | 0.78 | LMNA (0.37) | LMNAGBA1NLRP3 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63072696-A | — | — | None | — | — | JP | disclosed |
| WO-2005121114-A2 | 1,5 AND 1,4-ANHYDROKETOSES, METHODS FOR THE PREPARATION OF 1,5-AND 1,4-ANHYDROKETOSES, INTERMEDIATES, AND USES OF 1,5-AND 1,4-ANHYDROKETOSES | GLYCOM APS (DK) | 2005-12-22 | — | — | WO | disclosed |
| CN-1208066-C | Use of cyclic ether for preparation of medicaments affecting glucose tolerance | DANISCO (DK) | 2005-06-29 | — | — | CN | disclosed |
| EP-1163248-B1 | 1,5-ANHYDRO-D-FRUCTOSE SUBSTITUTED WITH A HYDROPHOBIC GROUP FOR USE AS ANTI-OXIDANT AND/OR EMULSIFIER | DANISCO (DK) | 2004-09-22 | — | — | EP | disclosed |
| US-20030170829-A1 | 1,5-Anhydro-D-fructose dehydratase | DANISCO A/S (DK) | 2003-09-11 | — | — | US | disclosed |
| WO-2003038085-A1 | 1,5-ANHYDRO-D-FRUCTOSE DEHYDRATASE | DANISCO A/S (DK) | 2003-05-08 | — | — | WO | disclosed |
| CN-1394142-A | Use of cyclic ethers for the manufacture of a medicament for influencing glucose tolerance | DANISCO (DK) | 2003-01-29 | — | — | CN | disclosed |
| US-20020102342-A1 | 1,5-Anhydro-D-fructose substituted with a hydrophobic group for use as anti-oxidant and/or emulsifier | DANISCO A/S (DK) | 2002-08-01 | — | — | US | disclosed |
| EP-1163248-A1 | 1,5-ANHYDRO-D-FRUCTOSE SUBSTITUTED WITH A HYDROPHOBIC GROUP FOR USE AS ANTI-OXIDANT AND/OR EMULSIFIER | DANISCO A/S (DK) | 2001-12-19 | — | — | EP | disclosed |
| WO-2000056745-A1 | 1,5-ANHYDRO-D-FRUCTOSE SUBSTITUTED WITH A HYDROPHOBIC GROUP FOR USE AS ANTI-OXIDANT AND/OR EMULSIFIER | DANISCO A/S (DK) | 2000-09-28 | — | — | WO | disclosed |
| JP-S6372696-A | PRODUCTION OF 1,5-ANHYDRO-D-FRUCTOSE AND HYDRATE THEREOF | NIPPON KAYAKU CO LTD | 1988-04-02 | — | — | JP | disclosed |