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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.38 |
| ▸ | NT5E | P21589 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.47 |
| ▸ | CASP6 | P55212 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | DUSP5 | Q16690 | 2/20 | 0.42 |
| ▸ | SUMO2 | P61956 | 1/20 | 0.41 |
| ▸ | SUMO1 | P63165 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | APEX1 | P27695 | 2/20 | 0.39 |
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 SCHEMBL29259108 | 1.00 | NT5E (0.55) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| SCHEMBL591402 | 0.98 | NT5E (0.57) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| SCHEMBL31274741 | 0.98 | NT5E (0.57) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| SCHEMBL2730685 | 0.91 | PTPN1 (0.52) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| SCHEMBL19043006 | 0.89 | PTPN1 (0.51) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| Water SCHEMBL30148471 | 0.85 | NT5E (0.79) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| Water SCHEMBL29516514 | 0.84 | NT5E (0.66) | NT5ECASP6ALDH1A1HSD17B10CYP2C9 | |
| SCHEMBL564761 | 0.83 | NT5E (0.81) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| SCHEMBL31202727 | 0.83 | NT5E (0.81) | NT5EPTPN1CASP6ALDH1A1HSD17B10 | |
| SCHEMBL29379230 | 0.83 | NT5E (0.81) | NT5EPTPN1CASP6ALDH1A1HSD17B10 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250067734-A1 | Fluorescent Cellulose Particles | ASAHI KASEI KABUSHIKI KAISHA (JP) | 2025-02-27 | — | — | US | disclosed |
| CN-119114152-A | Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent | 株式会社ACENET | 2024-12-13 | — | — | CN | disclosed |
| CN-110769931-B | Free radical generating catalyst, method for producing free radical, method for producing oxidation reaction product, pharmaceutical agent, and agricultural and livestock pharmaceutical agent | 株式会社ACENET | 2024-09-17 | — | — | CN | disclosed |
| CN-118119848-A | Fluorescent cellulose particles | 旭化成株式会社 | 2024-05-31 | — | — | CN | disclosed |
| WO-2023159724-A1 | ACID-RESPONSIVE ANTICANCER PEPTIDE AND PREPARATION METHOD THEREFOR | 中山大学孙逸仙纪念医院 | 2023-08-31 | — | — | WO | disclosed |
| CN-116322332-A | Antipathogenic agent, antibacterial agent, antiviral agent, pathogen treatment device, method for producing antipathogenic agent, antibacterial method, virus inactivation method, and pathogen treatment method | 株式会社ACENET | 2023-06-23 | — | — | CN | disclosed |
| CN-114501996-A | Chemical, method for producing chemical, and method for purifying water | 株式会社ACENET | 2022-05-13 | — | — | CN | disclosed |
| CN-114230634-B | Acid-responsive anticancer peptide and preparation method thereof | 中山大学孙逸仙纪念医院 | 2022-05-06 | — | — | CN | disclosed |
| CN-114230634-A | Acid-responsive anticancer peptide and preparation method thereof | 中山大学孙逸仙纪念医院 | 2022-03-25 | — | — | CN | disclosed |