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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.42 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 6/20 | 0.68 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.68 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TLR4 | O00206 | 1/20 | 0.43 |
| ▸ | TLR2 | O60603 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1654495 | 0.98 | NFE2L2 (0.70) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL1654497 | 0.98 | NFE2L2 (0.70) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| Ethylene SCHEMBL3620083 | 0.94 | NFE2L2 (0.66) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| Ethylene SCHEMBL3620087 | 0.94 | NFE2L2 (0.66) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| Oxirane SCHEMBL28257716 | 0.88 | NFE2L2 (0.59) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| Ethylene Glycol SCHEMBL29029327 | 0.88 | NFE2L2 (0.59) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6428787 | 0.88 | NFE2L2 (0.63) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL6428784 | 0.88 | NFE2L2 (0.63) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| Sulfuric Acid SCHEMBL563788 | 0.87 | NFE2L2 (0.58) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 | |
| Phosphoric Acid SCHEMBL22721325 | 0.87 | NFE2L2 (0.58) | NFE2L2TRPA1CYP1A1CYP1A2CYP1B1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117545743-A | Crystalline forms of 5-fluoro-4-imino-3-methyl-1-tosyl-3, 4-dihydropyrimidin-2-one, and mixtures, compositions, and methods of use thereof | 阿达玛马克西姆股份有限公司 | 2024-02-09 | — | — | CN | disclosed |
| CN-117119889-A | 5-fluoro-4-imino-3-methyl-1-tosyl-3, 4-dihydropyrimidin-2 (1H) -one for controlling plant diseases | 安道麦马克西姆有限公司 | 2023-11-24 | — | — | CN | disclosed |
| CN-113260255-A | Mixtures and compositions comprising 5-fluoro-4-imino-3-methyl-1-tosyl-3, 4-dihydropyrimidin-2-one and methods of use thereof | 阿达玛马克西姆有限公司 | 2021-08-13 | — | — | CN | disclosed |