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 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 | |
| Water SCHEMBL1023737 | 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117442582-A | Glomerulus targeted ROS responsive cationic polymer nanoparticle pharmaceutical composition, and preparation method and application thereof | 贵州中医药大学 | 2024-01-26 | — | — | CN | claimed |
| CN-112625202-B | Polycarbodiimide crosslinking agent, preparation method and application thereof, and composition containing polycarbodiimide crosslinking agent | 上海朗亿功能材料有限公司 | 2022-06-28 | — | — | CN | claimed |
| CN-113322584-A | Novel process for adding hydrophilic agent in Zi spinning production line | 南宁侨虹新材料股份有限公司 | 2021-08-31 | — | — | CN | claimed |
| CN-119486725-A | (2E) Mixtures and uses of (E) -3- (1, 3-benzodioxol-5-yl) -N-phenyl-N- (tetrahydro-3-furanyl) -2-propenamide | 西姆莱斯有限公司 | 2025-02-18 | — | — | CN | disclosed |
| CN-118829416-A | Composition (III) | 西姆莱斯股份公司 | 2024-10-22 | — | — | CN | disclosed |
| CN-117813077-A | Composition and method for producing the same | 西姆莱斯股份公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-113710331-B | Antimicrobial mixture | 西姆莱斯股份公司 | 2024-03-22 | — | — | CN | disclosed |
| CN-117442582-A | Glomerulus targeted ROS responsive cationic polymer nanoparticle pharmaceutical composition, and preparation method and application thereof | 贵州中医药大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-116997316-A | Perfume mixture containing isochronic alcohol (Isocitronellol) | 西姆莱斯股份公司 | 2023-11-03 | — | — | CN | disclosed |
| CN-116964186-A | Toilet edge block with smell change | 西姆莱斯股份公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-116963710-A | Medicine for preventing and treating hyperpigmentation | 西姆莱斯股份公司 | 2023-10-27 | — | — | CN | disclosed |
| CN-103541167-A | Production method of fiberglass gridding cloth | ZHEJIANG DAGANG DYEING AND PRINTING CO LTD | 2014-01-29 | — | — | CN | disclosed |
| CN-103502411-A | Liquid cleaning agent composition | AJINOMOTO KK | 2014-01-08 | — | — | CN | disclosed |
| CN-101583658-A | Barium sulfate-containing composite | SACHTLEBEN CHEMIE GMBH (DE) | 2009-11-18 | — | — | CN | disclosed |
| CN-1293857-C | Stabilization of resorcinol derivatives in cosmetic compositions | UNILEVER PLC (NL) | 2007-01-10 | — | — | CN | disclosed |
| CN-1642512-A | Stabilization of resorcinol derivatives in cosmetic compositions | UNILEVER PLC (NL) | 2005-07-20 | — | — | CN | disclosed |
| EP-1193290-A1 | POLYOLEFIN RESIN COMPOSITE, THERMOPLASTIC RESIN COMPOSITE, AND PROCESS FOR PRODUCING THERMOPLASTIC RESIN COMPOSITE | SEKISUI CHEMICAL CO., LTD. (JP) | 2002-04-03 | — | — | EP | disclosed |
| US-5122438-A | Diazo resin and silicone gum layer with developer of silicate, sulfite and aromatic carboxylic acid or salt; non-polluting, inflammable, high speed development | KONICA CORPORATION (JP) | 1992-06-16 | — | — | US | disclosed |
| EP-0426470-A2 | Method for developing a waterless light-sensitive lithographic plate | KONICA CORPORATION (JP) | 1991-05-08 | — | — | EP | disclosed |
| US-4368237-A | ORGANIC SOLVENT-FREE | FUJI PHOTO FILM CO., LTD. (JP) | 1983-01-11 | — | — | US | disclosed |