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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.44 |
| ▸ | NAAA | Q02083 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28878275 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL440149 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL1052594 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL22480 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL18822970 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL16297135 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL439354 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL887989 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL18823066 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 | |
| SCHEMBL27863554 | 0.98 | EPHX1 (0.46) | EPHX1NAAAHTTALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109734586-A | Treatment method for recycling (methyl) acrylic acid in esterification reaction system | 广东博兴新材料科技有限公司 | 2019-05-10 | — | — | CN | claimed |
| CN-108546393-A | A kind of resistance to ultralow temperature 3D printing photosensitive nanocomposite and its preparation | 东莞蚂蚁三维科技有限公司 | 2018-09-18 | — | — | CN | claimed |
| CN-106255678-B | The method for preparing carbamate-functional substance using Zr catalyst | 巴斯夫涂料有限公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-108883040-A | For packing and applying the device and composition of the lotion comprising film forming agent and nonvolatile oil | 莱雅公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-108778235-A | Device for applying the composition comprising film forming agent and nonvolatile oil for being in emulsion form | 莱雅公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-108546393-A | A kind of resistance to ultralow temperature 3D printing photosensitive nanocomposite and its preparation | 东莞蚂蚁三维科技有限公司 | 2018-09-18 | — | — | CN | disclosed |
| CN-108135807-A | Anhydrous liquid composition comprising an oil, a film-forming polymer, a monol and a particulate material | 莱雅公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-106520055-A | Dual-curing display screen shading adhesive for ink-jet printing and preparation method of dual-curing shading adhesive | 南京诺邦新材料有限公司 | 2017-03-22 | — | — | CN | disclosed |
| CN-106497498-A | A kind of double solidification leaded light glue for display backlight module and preparation method thereof | 南京诺邦新材料有限公司 | 2017-03-15 | — | — | CN | disclosed |
| CN-106459659-A | Method using titanium catalyst for producing carbamate-functional materials | 巴斯夫涂料有限公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106255678-A | Use the method that Zr catalyst prepares carbamate-functional material | 巴斯夫涂料有限公司 | 2016-12-21 | — | — | CN | disclosed |