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 | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.41 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.41 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.31 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HMGCR | P04035 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.37 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.37 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | ACLY | P53396 | 3/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5571319 | 0.97 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL8376690 | 0.97 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL8182344 | 0.97 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL1246171 | 0.97 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL5484809 | 0.97 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| SCHEMBL702412 | 0.97 | ALDH1A1 (0.43) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL2300544 | 0.94 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL9621712 | 0.94 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL9547027 | 0.94 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A | |
| Water SCHEMBL5193296 | 0.94 | ALDH1A1 (0.41) | ALDH1A1HMGCRCHRM1TBXA2RADRA1A |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796147-B | Rapid repairing material for magnesium phosphate cement and preparation method thereof | 东南大学 | 2021-09-28 | — | — | CN | claimed |
| CN-114929754-A | Novel cross-linked alginic acid | 持田制药株式会社 | 2022-08-19 | — | — | CN | disclosed |
| CN-114740120-A | Method for simultaneously and quantitatively determining abiraterone and five metabolites thereof and application | 武汉宏韧生物医药股份有限公司 | 2022-07-12 | — | — | CN | disclosed |
| CN-109321561-B | Preservative for protecting nucleic acid in extracorporeal blood and blood collection tube | 安诺优达基因科技(北京)有限公司 | 2022-03-08 | — | — | CN | disclosed |
| CN-109796147-B | Rapid repairing material for magnesium phosphate cement and preparation method thereof | 东南大学 | 2021-09-28 | — | — | CN | disclosed |
| EP-1830957-B1 | EPOXIDATION PROCESS WHEREIN THE TITANIUM OR VANADIUM ZEOLITE CATALYST IS PRETEATED WITH AN AMINO POLYACID | LYONDELL CHEMICAL TECH LP (US) | 2008-11-12 | — | — | EP | disclosed |
| EP-1830957-A1 | EPOXIDATION PROCESS WHEREIN THE TITANIUM OR VANADIUM ZEOLITE CATALYST IS PRETEATED WITH AN AMINO POLYACID | Lyondell Chemical Technology, L.P. (US) | 2007-09-12 | — | — | EP | disclosed |
| US-20060135795-A1 | reacting olefin with hydrogen peroxide in presence of titanium or vanadium zeolite which is pretreated with ethylenediaminetetraacetic acid | LYONDELL CHEMICAL TECHNOLOGY, L.P. | 2006-06-22 | — | — | US | disclosed |
| WO-2006065311-A1 | EPOXIDATION PROCESS WHEREIN THE TITANIIUM OR VANADIUM ZEOLITE CATALYST IS PRETREATED WITH AN AMINO POLYACID | LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) | 2006-06-22 | — | — | WO | disclosed |
| US-7057056-B1 | Epoxidation catalyst | LYONDELL CHEMICAL TECHNOLOGY, L.P. (US) | 2006-06-06 | — | — | US | disclosed |
| US-6485753-B2 | DETECTING ARTERIOSCLEROSIS; OBTAIN SERUM SAMPLE, MEASURE SEROTONIN CONCENTRATION IN SAMPLE, AMPLIFIED CONCENTRATION INDICATES ARTERIAL DAMAGE | TOSOH CORPORATION (JP) | 2002-11-26 | — | — | US | disclosed |
| US-20020052017-A1 | Diagnostic marker for vascular endothelial injury | TOSOH CORPORATION | 2002-05-02 | — | — | US | disclosed |