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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.91 |
| ▸ | TSHR | P16473 | 3/20 | 0.91 |
| ▸ | TP53 | P04637 | 1/20 | 0.91 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
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 SCHEMBL4994101 | 1.00 | — | — | |
| SCHEMBL1331930 | 0.95 | — | — | |
| SCHEMBL20661241 | 0.95 | ALDH1A1 (1.00) | ALDH1A1TSHRTP53TDP1LMNA | |
| SCHEMBL322832 | 0.95 | ALDH1A1 (1.00) | ALDH1A1TSHRTP53TDP1LMNA | |
| SCHEMBL14855 | 0.95 | — | — | |
| Bromide SCHEMBL8198603 | 0.91 | ALDH1A1 (0.91) | ALDH1A1TSHRTP53LMNA | |
| SCHEMBL4421781 | 0.91 | ALDH1A1 (0.91) | ALDH1A1TSHRTP53LMNA | |
| Charcoal, Activated SCHEMBL318468 | 0.91 | — | — | |
| SCHEMBL7091146 | 0.91 | — | — | |
| Ethylene SCHEMBL8752751 | 0.91 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118943331-A | Composite positive electrode active material, preparation method thereof, composite positive electrode and battery | 清陶(乌海)能源科技有限公司 | 2024-11-12 | — | — | CN | disclosed |
| CN-115819483-A | Nucleoside derivatives for treating cancer and use thereof | 南京知和医药科技有限公司 | 2023-03-21 | — | — | CN | disclosed |
| CN-109476546-A | Reduction of bubble formation in polyurethane cement-based hybrid systems | SIKA技术股份公司 | 2019-03-15 | — | — | CN | disclosed |
| CN-105555889-B | CMP compositions comprising cerium oxide-containing abrasive particles | 巴斯夫欧洲公司 | 2018-11-27 | — | — | CN | disclosed |
| CN-105555889-A | CMP compositions comprising cerium oxide-containing abrasive particles | BASF SE | 2016-05-04 | — | — | CN | disclosed |
| CN-103003400-B | Polyalkyl (meth) acrylate for improving lubricating oil properties | EVONIK ROHMAX ADDITIVES GMBH | 2015-05-06 | — | — | CN | disclosed |
| CN-102666617-B | Method for producing poly(methyl) acrylate graft polylactone polymers | EVONIK DEGUSSA GMBH | 2014-11-12 | — | — | CN | disclosed |
| CN-103003400-A | Polyalkyl (meth) acrylate for improving lubricating oil properties | EVONIK ROHMAX ADDITIVES GMBH | 2013-03-27 | — | — | CN | disclosed |
| CN-102666617-A | Method for producing poly(methyl) acrylate graft polylactone polymers | EVONIK DEGUSSA GMBH | 2012-09-12 | — | — | CN | disclosed |
| CN-100529959-C | Stabilized rear projection screen and method for producing same | ROEHM GMBH (DE) | 2009-08-19 | — | — | CN | disclosed |
| CN-101448870-A | Powder coating compositions containing highly functional, highly branched or hyperbranched polycarbonates | BASF COATINGS AG (DE) | 2009-06-03 | — | — | CN | disclosed |
| CN-101410497-A | Motor fuel compositions comprising renewable raw materials | EVONIK ROHMAX ADDITIVES GMBH (DE) | 2009-04-15 | — | — | CN | disclosed |
| CN-1829943-A | Stable rear projection screen and method for the production thereof | ROEHM GMBH (DE) | 2006-09-06 | — | — | CN | disclosed |
| CN-1653295-A | Improved light conductor and method for making same | ROEHM GBMH & CO KG (DE) | 2005-08-10 | — | — | CN | disclosed |
| EP-0253637-B1 | IMPROVED TERTIARY OLEFIN PROCESS | EXXON CHEMICAL PATENTS INC. (US) | 1992-05-27 | — | — | EP | disclosed |
| EP-0427711-A1 | Hydrogenation of unsaturated ethers | EXXON CHEMICAL PATENTS INC. (US) | 1991-05-15 | — | — | EP | disclosed |
| EP-0253637-A2 | Improved tertiary olefin process | EXXON CHEMICAL PATENTS INC. (US) | 1988-01-20 | — | — | EP | disclosed |
| US-4714788-A | Tertiary olefin process | EXXON CHEMICAL PATENTS INC. (US) | 1987-12-22 | — | — | US | disclosed |