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.
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 SCHEMBL3966167 | 1.00 | — | — | |
| Water SCHEMBL6507061 | 1.00 | — | — | |
| Water SCHEMBL28623569 | 1.00 | — | — | |
| SCHEMBL1471 | 0.94 | — | — | |
| SCHEMBL1501795 | 0.94 | — | — | |
| Hydrazine SCHEMBL28061768 | 0.91 | — | — | |
| Formaldehyde SCHEMBL27771956 | 0.91 | — | — | |
| Water SCHEMBL9364165 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL9807082 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL1681554 | 0.89 | — | — |
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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004078714-A2 | PROCESSES FOR PREPARING IMIDAZOQUINOXALINONES, HETEROCYCLIC-SUBSTITUTED IMIDAZOPYRAZINONES, IMIDAZOUINOXALINES AND HETEROCYCLIC-SUBSTITUTED IMIDAZOPYRAZINES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-16 | — | — | WO | claimed |
| US-20040180898-A1 | Processes for preparing imidazoquinoxalinones, heterocyclic-substituted imidazopyrazinones, imidazoquinoxalines and heterocyclic-substituted imidazopyrazines | BRISTOL-MYERS SQUIBB COMPANY | 2004-09-16 | — | — | US | claimed |
| CN-116529288-A | Polyamide | 株式会社可乐丽 | 2023-08-01 | — | — | CN | disclosed |
| CN-110981782-A | Method for efficiently preparing 5, 6-dihydroxyindole | 广州星业科技股份有限公司 | 2020-04-10 | — | — | CN | disclosed |
| CN-107119447-B | A kind of method for dyeing terylene using nano lanthanum oxide | 西安工程大学 | 2019-05-17 | — | — | CN | disclosed |
| CN-107119447-A | A kind of method for dyeing terylene of utilization nano lanthanum oxide | 西安工程大学 | 2017-09-01 | — | — | CN | disclosed |
| US-20070021450-A1 | Indanylamino uracils and their use as antioxidants and neuroprotectants | TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) | 2007-01-25 | — | — | US | disclosed |
| WO-2006020070-A2 | INDANYLAMINO URACILS AND THEIR USE AS ANTIOXIDANTS AND NEUROPROTECTANTS | TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) | 2006-02-23 | — | — | WO | disclosed |
| WO-2004078714-A2 | PROCESSES FOR PREPARING IMIDAZOQUINOXALINONES, HETEROCYCLIC-SUBSTITUTED IMIDAZOPYRAZINONES, IMIDAZOUINOXALINES AND HETEROCYCLIC-SUBSTITUTED IMIDAZOPYRAZINES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-16 | — | — | WO | disclosed |
| US-20040180898-A1 | Processes for preparing imidazoquinoxalinones, heterocyclic-substituted imidazopyrazinones, imidazoquinoxalines and heterocyclic-substituted imidazopyrazines | BRISTOL-MYERS SQUIBB COMPANY | 2004-09-16 | — | — | US | disclosed |
| US-6750214-B2 | PARTICULARLY IN THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA | COLLIS ALAN JOHN (US) | 2004-06-15 | — | — | US | disclosed |
| EP-0548096-A1 | AMPHIPHILIC FLUORINE DERIVATIVES WITH TELOMERIC STRUCTURES; PREPARATION AND BIOMEDICAL APPLICATIONS. | ATTA (FR) | 1993-06-30 | — | — | EP | disclosed |
| WO-1992002560-A1 | AMPHIPHILIC FLUORINE DERIVATIVES WITH TELOMERIC STRUCTURES; PREPARATION AND BIOMEDICAL APPLICATIONS | S.A. A.T.T.A. APPLICATIONS ET TRANSFERTS DE TECHNO (FR) | 1992-02-20 | — | — | WO | disclosed |
| US-4778914-A | FOR HALOGENATED DIPHENYL ETHER HERBICIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-10-18 | — | — | US | disclosed |
| EP-0232025-A2 | Dihydropyridine anti-ischaemic and antihypertensive agents | Pfizer Limited (GB) | 1987-08-12 | — | — | EP | disclosed |
| US-4388472-A | Substituted diphenyl ethers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-06-14 | — | — | US | disclosed |
| EP-0023100-B1 | HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-11-10 | — | — | EP | disclosed |
| US-4283303-A | EVAPORATION AT LOW HEAT UNDER VACUUM AND COOLING PROMPTLY | VIRGINIA CHEMICALS INC. (US) | 1981-08-11 | — | — | US | disclosed |
| EP-0023100-A1 | Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1981-01-28 | — | — | EP | disclosed |
| US-3932465-A | ANTIBIOTIC | CIBA-GEIGY CORPORATION (US) | 1976-01-13 | — | — | US | disclosed |