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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | DPYD | Q12882 | 2/20 | 0.45 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | THPO | P40225 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HBB | P68871 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
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 SCHEMBL11272295 | 1.00 | GAA (0.50) | GAAMAPTDPYDATAD2ALDH1A1 | |
| SCHEMBL44459 | 0.98 | GAA (0.52) | GAAMAPTDPYDATAD2ALDH1A1 | |
| Phosphoric Acid SCHEMBL29493371 | 0.90 | GAA (0.45) | GAAMAPTDPYDATAD2ALDH1A1 | |
| SCHEMBL28633880 | 0.88 | GAA (0.44) | GAAMAPTDPYD | |
| Uracil SCHEMBL29116490 | 0.84 | CRBN (0.57) | GAAMAPT | |
| SCHEMBL7070324 | 0.81 | GAA (0.50) | GAAMAPTDPYDATAD2ALDH1A1 | |
| SCHEMBL29002023 | 0.80 | GAA (0.37) | GAAMAPT | |
| SCHEMBL4940336 | 0.80 | GAA (0.37) | GAAMAPTDPYD | |
| SCHEMBL29266086 | 0.80 | GAA (0.37) | GAAMAPT | |
| SCHEMBL4353311 | 0.79 | DPYD (0.50) | GAAMAPTDPYDATAD2ALDH1A1 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0743574-B1 | Migration imaging members | XEROX CORP (US) | 2000-12-27 | — | — | EP | claimed |
| EP-0743573-B1 | Method for obtaining image contrast migration imaging members | XEROX CORP (US) | 2000-09-06 | — | — | EP | claimed |
| EP-0743574-A2 | Migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | claimed |
| EP-0743573-A2 | Method for obtaining image contrast migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | claimed |
| US-5563014-A | SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT | XEROX CORPORATION (US) | 1996-10-08 | — | — | US | claimed |
| US-5514505-A | SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE | XEROX CORPORATION (US) | 1996-05-07 | — | — | US | claimed |
| US-6846525-B2 | Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds | XEROX CORPORATION (US) | 2005-01-25 | — | — | US | disclosed |
| US-20040202825-A1 | RECORDING SHEETS CONTAINING PURINE, PYRIMIDINE, BENZIMIDAZOLE, IMIDAZOLIDINE, URAZOLE, PYRAZOLE, TRIAZOLE, BENZOTRIAZOLE, TETRAZOLE, AND PYRAZINE COMPOUNDS | XEROX CORPORATION | 2004-10-14 | — | — | US | disclosed |
| EP-0743574-B1 | Migration imaging members | XEROX CORP (US) | 2000-12-27 | — | — | EP | disclosed |
| EP-1047705-A2 | NUCLEOBASE OLIGOMERS | THE PERKIN-ELMER CORPORATION (US) | 2000-11-02 | — | — | EP | disclosed |
| EP-0743573-B1 | Method for obtaining image contrast migration imaging members | XEROX CORP (US) | 2000-09-06 | — | — | EP | disclosed |
| EP-0673783-B1 | Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds | XEROX CORP (US) | 2000-07-05 | — | — | EP | disclosed |
| US-6054568-A | Nucleobase oligomers | THE PERKIN-ELMER CORPORATION (US) | 2000-04-25 | — | — | US | disclosed |
| US-5514505-A | SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE | XEROX CORPORATION (US) | 1996-05-07 | — | — | US | disclosed |
| EP-0673783-A2 | Recording sheets containing purine, pyrimidine, benzimidazole, imidazolidine, urazole, pyrazole, triazole, benzotriazole, tetrazole, and pyrazine compounds | XEROX CORPORATION (US) | 1995-09-27 | — | — | EP | disclosed |
| US-4332884-A | USING A DIOXIME CHELATING AGENT | RICOH CO., LTD. (JP) | 1982-06-01 | — | — | US | disclosed |
| US-4315068-A | CONTAINING A COBALT-AMMINE COMPLEX AND A DIOXIME OR A BISIMIDAZOLIN-3-ONE CHELATING AGENT; STABILITY; COLOR DILMS | RICOH CO., LTD. (JP) | 1982-02-09 | — | — | US | disclosed |
| US-4306014-A | AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM | RICOH CO., LTD. (JP) | 1981-12-15 | — | — | US | disclosed |
| US-4201588-A | NONSILVER PHOTOGRAPHIC FILMS; DISULFIDE, DIAZOANTHRONE, DIAZOPHENANTHRONE, AROMATIC AZIDE, CARBAZIDES OR QUINONES AS PHOTOREDUCTANT; EXTERNAL HYDROGEN SOURCE | EASTMAN KODAK COMPANY (US) | 1980-05-06 | — | — | US | disclosed |
| US-4171221-A | NONSILVER PHOTOGTAPHY | EASTMAN KODAK COMPANY (US) | 1979-10-16 | — | — | US | disclosed |