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 SCHEMBL287019 | 1.00 | — | — | |
| Water SCHEMBL8425261 | 1.00 | — | — | |
| Water SCHEMBL11066017 | 1.00 | — | — | |
| Water SCHEMBL16822414 | 0.82 | — | — | |
| SCHEMBL36860 | 0.82 | — | — | |
| Water SCHEMBL25376347 | 0.82 | — | — | |
| Water SCHEMBL1323986 | 0.82 | — | — | |
| Water SCHEMBL22776065 | 0.82 | — | — | |
| Water SCHEMBL9043508 | 0.82 | — | — | |
| Water SCHEMBL10938611 | 0.82 | — | — |
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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118930438-A | Preparation method of tetrapropyl ammonium homoruthenate (VII) | 云南贵金属实验室有限公司 | 2024-11-12 | — | — | CN | claimed |
| US-4866172-A | Pristinamycin process | MAY & BAKER LIMITED (GB) | 1989-09-12 | — | — | US | claimed |
| US-12628593-B2 | Method for treating transition metal semiconductor, and reducing agent-containing treatment liquid for transition metal oxide | TOKUYAMA CORPORATION (JP) | 2026-05-12 | — | — | US | disclosed |
| CN-118930438-A | Preparation method of tetrapropyl ammonium homoruthenate (VII) | 云南贵金属实验室有限公司 | 2024-11-12 | — | — | CN | disclosed |
| US-20240087911-A1 | METHOD FOR TREATING TRANSITION METAL SEMICONDUCTOR, AND REDUCING AGENT-CONTAINING TREATMENT LIQUID FOR TRANSITION METAL OXIDE | TOKUYAMA CORPORATION (JP) | 2024-03-14 | — | — | US | disclosed |
| WO-2022131186-A1 | METHOD FOR TREATING TRANSITION METAL SEMICONDUCTOR, AND REDUCING AGENT-CONTAINING TREATMENT LIQUID FOR TRANSITION METAL OXIDE | 株式会社トクヤマ | 2022-06-23 | — | — | WO | disclosed |
| EP-1370561-B1 | TETRAHYDRO-PYRAZINO[1,2-A]INDOLES FOR THE TREATMENT OF CENTRAL NERVOUS DISORDERS | HOFFMANN LA ROCHE (CH) | 2009-02-11 | — | — | EP | disclosed |
| US-7253281-B2 | Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indoles | HOFFMANN-LA ROCHE INC. (US) | 2007-08-07 | — | — | US | disclosed |
| US-20070106076-A1 | Anti-obesity 1,2,3,4,10,10a-hexahydropyrazino [1,2-a] indoles | BENTLEY JONATHAN M | 2007-05-10 | — | — | US | disclosed |
| CN-1277828-C | Piperzine devivs. | HOFFMANN LA ROCHE (CH) | 2006-10-04 | — | — | CN | disclosed |
| CN-1245405-C | Piperazine derivatives | HOFFMANN LA ROCHE (CH) | 2006-03-15 | — | — | CN | disclosed |
| WO-2002010169-A1 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-02-07 | — | — | WO | disclosed |
| US-5116999-A | PROCESS FOR THE PREPARATION OF CYCLIC SULPHATES | RHONE POULENC SANTE (FR) | 1992-05-26 | — | — | US | disclosed |
| EP-0252720-B1 | PRISTINAMYCIN PROCESS | MAY & BAKER LIMITED (GB) | 1991-09-18 | — | — | EP | disclosed |
| US-4960904-A | CHEMICAL INTERMEDIATES FOR HYDROXYALKYLATION | RHONE-POULENC SANTE (FR) | 1990-10-02 | — | — | US | disclosed |
| US-4866172-A | Pristinamycin process | MAY & BAKER LIMITED (GB) | 1989-09-12 | — | — | US | disclosed |
| EP-0252720-A2 | Pristinamycin process | MAY & BAKER LIMITED (GB) | 1988-01-13 | — | — | EP | disclosed |
| US-4647691-A | Process for preparing ethyl and n-propyl esters of carboxylic acids from methanol, syngas and carboxylic acid using a new catalyst system | TEXACO INC. (US) | 1987-03-03 | — | — | US | disclosed |
| US-4221916-A | Oxidative esterification process | PHILLIPS PETROLEUM COMPANY (US) | 1980-09-09 | — | — | US | disclosed |
| US-4049583-A | OXIDATION OR REDUCTION CATALYSTS | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1977-09-20 | — | — | US | disclosed |