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 | |
|---|---|---|---|---|
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.44 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.44 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.44 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.42 |
| ▸ | PARP1 known ✓ | P09874 | 2/20 | 0.35 |
| ▸ | PIK3CG known ✓ | P48736 | 1/20 | 0.35 |
| ▸ | GSK3A known ✓ | P49840 | 2/20 | 0.33 |
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.33 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.33 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.33 |
| ▸ | MET known ✓ | P08581 | 1/20 | 0.33 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.33 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.33 |
| ▸ | KDR known ✓ | P35968 | 1/20 | 0.33 |
| ▸ | ACVR1 known ✓ | Q04771 | 1/20 | 0.33 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.33 |
| ▸ | ROCK1 known ✓ | Q13464 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29545868 | 0.98 | KDM4E (0.46) | KDM4EALDH1A1BLMTDP1PMP22 | |
| SCHEMBL932546 | 0.98 | KDM4E (0.46) | KDM4EALDH1A1BLMTDP1PMP22 | |
| Hydrochloric Acid SCHEMBL30431695 | 0.96 | KDM4E (0.44) | KDM4EALDH1A1BLMTDP1PMP22 | |
| Hydrochloric Acid SCHEMBL28868510 | 0.96 | KDM4E (0.44) | KDM4EALDH1A1BLMTDP1PMP22 | |
| SCHEMBL9435433 | 0.87 | RPS6KA3 (0.41) | KDM4EALDH1A1BLMTDP1PMP22 | |
| Pterine SCHEMBL1512995 | 0.80 | HSD17B10 (0.46) | KDM4EALDH1A1PMP22HSD17B10MEN1 | |
| SCHEMBL30572345 | 0.78 | GDA (0.44) | KDM4EALDH1A1BLMTDP1PMP22 | |
| SCHEMBL340668 | 0.78 | GDA (0.44) | KDM4EALDH1A1BLMTDP1PMP22 | |
| SCHEMBL3961933 | 0.78 | GDA (0.44) | KDM4EALDH1A1BLMTDP1PMP22 | |
| SCHEMBL5441685 | 0.77 | KDM4E (0.42) | KDM4EALDH1A1BLMTDP1PMP22 |
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 21 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-0743573-A2 | Method for obtaining image contrast migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | claimed |
| EP-0743574-A2 | 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-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-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-5659348-A | APPLYING TO A SUBSTRATE | XEROX CORPORATION (US) | 1997-08-19 | — | — | US | disclosed |
| EP-0743574-A2 | Migration imaging members | XEROX CORPORATION (US) | 1996-11-20 | — | — | EP | disclosed |
| US-5563014-A | SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT | XEROX CORPORATION (US) | 1996-10-08 | — | — | 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 |
| EP-0397362-B1 | Electrochemical detection of growth of micro-organisms | METAL BOX PLC (GB) | 1995-06-21 | — | — | EP | disclosed |
| EP-0397362-A1 | Electrochemical detection of growth of micro-organisms | CarnaudMetalbox plc (GB) | 1990-11-14 | — | — | EP | disclosed |
| EP-0071903-B1 | DIGLYCIDYL PTERIDINE COMPOUNDS, METHOD FOR THEIR PREPARATION AND THEIR USE IN DRUGS WITH A CYTOSTATIC ACTIVITY | Henkel Kommanditgesellschaft auf Aktien (DE) | 1985-08-28 | — | — | EP | disclosed |
| US-4463006-A | ANTICANCER, ANTITUMOR AGENTS | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1984-07-31 | — | — | US | disclosed |
| EP-0071903-A1 | Diglycidyl pteridine compounds, method for their preparation and their use in drugs with a cytostatic activity | Henkel Kommanditgesellschaft auf Aktien (DE) | 1983-02-16 | — | — | EP | disclosed |