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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.41 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.39 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.94 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.94 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.47 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.46 |
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 SCHEMBL3058934 | 1.00 | ALDH1A1 (0.94) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| Biphenyl SCHEMBL5898894 | 0.97 | ALDH1A1 (0.90) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| SCHEMBL115115 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| SCHEMBL30451936 | 0.97 | ALDH1A1 (1.00) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| SCHEMBL29253161 | 0.94 | ALDH1A1 (0.94) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| Hydrochloric Acid SCHEMBL28530945 | 0.94 | ALDH1A1 (0.94) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| Methane SCHEMBL10434104 | 0.94 | ALDH1A1 (0.94) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| SCHEMBL27649307 | 0.94 | ALDH1A1 (0.94) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| SCHEMBL29213644 | 0.94 | ALDH1A1 (0.94) | ALDH1A1MAPK1TP53RAB9AMAPT | |
| SCHEMBL1270894 | 0.94 | ALDH1A1 (0.94) | ALDH1A1MAPK1TP53RAB9AMAPT |
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 126 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113933408-A | Analysis method of polybrominated diphenyl ethers in grains | 国家粮食和物资储备局科学研究院 | 2022-01-14 | — | — | CN | claimed |
| CN-106872605-B | The detection method of low bromobiphenyl ether in a kind of soil aperture underwater trace | 中国科学院南京土壤研究所 | 2019-05-31 | — | — | CN | claimed |
| CN-108009394-A | A kind of method of the more bromobiphenyl ether dissociation constants of fast prediction hydroxyl | 浙江师范大学 | 2018-05-08 | — | — | CN | claimed |
| CN-106872605-A | The detection method of low bromobiphenyl ether in a kind of soil aperture underwater trace | 中国科学院南京土壤研究所 | 2017-06-20 | — | — | CN | claimed |
| US-6858562-B1 | Catalyst for decomposing organic harmful substances and method for decomposing organic halides by use thereof | MITSUI CHEMICALS, INC. (JP) | 2005-02-22 | — | — | US | claimed |
| EP-0848033-B1 | Flame-retardant resin composition, and insulated wire, shielded wire and insulating tube comprising the composition | SUMITOMO ELECTRIC INDUSTRIES (JP) | 2003-11-12 | — | — | EP | claimed |
| EP-1236510-A1 | CATALYST FOR DECOMPOSING ORGANIC HAZARDOUS MATERIAL AND METHOD FOR DECOMPOSING ORGANIC HALIDES USING THE SAME | Mitsui Chemicals, Inc. (JP) | 2002-09-04 | — | — | EP | claimed |
| US-20010005731-A1 | Flame-retardant resin composition, and insulated wire, shielded wire and insulating tube comprising the composition | SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) | 2001-06-28 | — | — | US | claimed |
| US-6204318-B1 | Insulated wire comprising a flame-retardant polyolefinic resin composition | SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) | 2001-03-20 | — | — | US | claimed |
| EP-0848033-A1 | Flame-retardant resin composition, and insulated wire, shielded wire and insulating tube comprising the composition | SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) | 1998-06-17 | — | — | EP | claimed |
| JP-62068825-A | — | — | None | — | — | JP | disclosed |
| JP-63083140-A | — | — | None | — | — | JP | disclosed |
| JP-63083141-A | — | — | None | — | — | JP | disclosed |
| CN-111406059-B | Europium complexes | 东曹株式会社 | 2023-04-18 | — | — | CN | disclosed |
| CN-115561348-A | High-sensitivity detection device and method for 25 polybrominated diphenyl ethers in aquatic products | 上海市农业科学院 | 2023-01-03 | — | — | CN | disclosed |
| EP-0352383-A1 | Anionically-polymerized-rubber-modified styrene copolymers | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1990-01-31 | — | — | EP | disclosed |
| JP-S6383140-A | PRODUCTION OF LAMINATED SHEET | HITACHI CHEM CO LTD | 1988-04-13 | — | — | JP | disclosed |
| JP-S6383141-A | PRODUCTION OF LAMINATED SHEET | HITACHI CHEM CO LTD | 1988-04-13 | — | — | JP | disclosed |
| JP-S6268825-A | PRODUCTION OF FLAME-RETARDANT LAMINATED BOARD | HITACHI CHEM CO LTD | 1987-03-28 | — | — | JP | disclosed |
| JP-S06268825-A | — | — | 0001-01-01 | — | — | JP | disclosed |