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 | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 2/20 | 0.96 |
| ▸ | TSHR | P16473 | 2/20 | 0.96 |
| ▸ | GLA | P06280 | 1/20 | 0.96 |
| ▸ | HPGD | P15428 | 1/20 | 0.96 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.96 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
| ▸ | CA1 | P00915 | 10/20 | 0.57 |
| ▸ | CA2 | P00918 | 10/20 | 0.57 |
| ▸ | CA9 | Q16790 | 8/20 | 0.57 |
| ▸ | CA12 | O43570 | 3/20 | 0.57 |
| ▸ | CA7 | P43166 | 3/20 | 0.57 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.57 |
| ▸ | CA3 | P07451 | 2/20 | 0.57 |
| ▸ | CA4 | P22748 | 2/20 | 0.57 |
| ▸ | CA6 | P23280 | 2/20 | 0.57 |
| ▸ | CA5A | P35218 | 2/20 | 0.57 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.57 |
| ▸ | FUT7 | Q11130 | 1/20 | 0.42 |
| ▸ | FGF1 | P05230 | 3/20 | 0.42 |
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 SCHEMBL28352580 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL7534502 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL10868534 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Octadecyl Sulfate SCHEMBL739215 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL669056 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL771625 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL27678765 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Water SCHEMBL28277065 | 1.00 | RECQL (0.96) | RECQLTSHRGLAHPGDMAPK1 | |
| Ammonia Solution, Strong SCHEMBL28293425 | 0.98 | RECQL (0.92) | RECQLTSHRGLAHPGDMAPK1 | |
| SCHEMBL23387500 | 0.98 | RECQL (1.00) | RECQLTSHRGLAHPGDMAPK1 |
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 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113350736-A | Fire extinguishing medium suitable for foam water mist fire extinguishing system and preparation method thereof | 国网电力科学研究院有限公司 | 2021-09-07 | — | — | CN | claimed |
| CN-111617428-B | Chlorine-free aqueous film-forming foam extinguishing agent and preparation method thereof | 成都科宏达化学有限责任公司 | 2021-07-27 | — | — | CN | claimed |
| US-20220289992-A1 | Ink Composition For Ink Jet Recording And Coloring Material Dispersion Liquid | SEIKO EPSON CORPORATION (JP) | 2022-09-15 | — | — | US | disclosed |
| CN-113350736-A | Fire extinguishing medium suitable for foam water mist fire extinguishing system and preparation method thereof | 国网电力科学研究院有限公司 | 2021-09-07 | — | — | CN | disclosed |
| EP-1859954-B2 | Planographic printing plate precursor and stack thereof | FUJIFILM CORP (JP) | 2017-11-08 | — | — | EP | disclosed |
| EP-3051349-A1 | ALKALI-SOLUBLE POLYMER AND POLYMERIZABLE COMPOSITION THEREOF | FUJIFILM Corporation (JP) | 2016-08-03 | — | — | EP | disclosed |
| EP-1505441-B1 | Alkali-soluble polymer, polymerizable composition comprising the same, negative image-recording material and process for image forming | FUJIFILM CORP (JP) | 2016-04-20 | — | — | EP | disclosed |
| EP-1457837-B1 | Developing solution for heat-sensitive lithographic printing plate precursor and method for peparing lithographic printing plate | FUJIFILM CORP (JP) | 2016-02-17 | — | — | EP | disclosed |
| US-20160000979-A1 | BIOACTIVE IMPLANT AND MANUFACTURING METHOD OF BIOACTIVE IMPLANT | MITSUBISHI PAPER MILLS LIMITED (JP) | 2016-01-07 | — | — | US | disclosed |
| EP-1176467-B1 | Negative working photosensitive lithographic printing plate | FUJIFILM CORP (JP) | 2015-09-16 | — | — | EP | disclosed |
| US-8647813-B2 | Photosensitive composition and photosensitive lithographic printing plate material | MITSUBISHI PAPER MILLS LIMITED (JP) | 2014-02-11 | — | — | US | disclosed |
| EP-1223196-A2 | Negative image-recording material and cyanine dye | Fuji Photo Film Co., Ltd. (JP) | 2002-07-17 | — | — | EP | disclosed |
| EP-1204000-A1 | Photosensitive lithographic printing plate | FUJI PHOTO FILM CO., LTD. (JP) | 2002-05-08 | — | — | EP | disclosed |
| US-20020048725-A1 | Suitable for image-drawing with a laser light; (meth)acrylic acid ester imparts alkali developability to binder | FUJIFILM CORPORATION (JP) | 2002-04-25 | — | — | US | disclosed |
| US-20020045128-A1 | Can be imagewise-exposed by IR radiation from IR lasers and enables direct image formation from digital data of a computer or the like. | FUJIFILM CORPORATION (JP) | 2002-04-18 | — | — | US | disclosed |
| EP-1195646-A1 | Photosensitive lithographic printing plate precursor | FUJI PHOTO FILM CO., LTD. (JP) | 2002-04-10 | — | — | EP | disclosed |
| EP-1176467-A1 | Negative working photosensitive lithographic printing plate | FUJI PHOTO FILM CO., LTD. (JP) | 2002-01-30 | — | — | EP | disclosed |
| EP-1176007-A2 | Negative image-recording material and method of image formation | Fuji Photo Film Co., Ltd. (JP) | 2002-01-30 | — | — | EP | disclosed |
| EP-0684521-B1 | Positive working photosensitive compositions | FUJI PHOTO FILM CO LTD (JP) | 1998-01-14 | — | — | EP | disclosed |
| US-3931088-A | ADHESIVE COMPOSITION CONSISTING OF POLYVINYLALCOHOL SOLUTION OR POLYVINYLACETATE LATEX MODIFIED WITH HYDROPHOBIC SOLUTION OF ISOCYANATE COMPOUND | KURARAY CO., LTD. (JA) | 1976-01-06 | — | — | US | disclosed |