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 SCHEMBL2731747 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2501699 | 1.00 | — | — | |
| Water SCHEMBL2501638 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2501534 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2730640 | 1.00 | — | — | |
| Water SCHEMBL2731420 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL7926810 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2497290 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL12807087 | 1.00 | ALDH1A1 (0.50) | — | |
| Water SCHEMBL2501700 | 1.00 | — | — |
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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109988124-B | Inhibitor of renal glutaminase allosteric site containing oxygen group element diazole or tetrazole structure | 杭州健昵福生物科技有限公司 | 2024-01-09 | — | — | CN | disclosed |
| CN-116554104-A | Indenone and indazolone derivatives with antioxidant activity, and synthetic method and application thereof | 西南大学 | 2023-08-08 | — | — | CN | disclosed |
| CN-116143602-A | Indenone and indazolone derivatives with antioxidant activity, and synthetic method and application thereof | 西南大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-115837038-A | Preparation and application of haematococcus pluvialis extract | 厦门大学 | 2023-03-24 | — | — | CN | disclosed |
| CN-115820576-A | Diels-Alder reaction enzyme mutant and preparation method and application thereof | 北京大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-111018832-A | Preparation and application of imidazolone compounds containing tetrahydroisoquinoline structure | 济南大学 | 2020-04-17 | — | — | CN | disclosed |
| CN-105884862-B | B-carboline acyl-tryptophan of RGD tetrapeptide modification, preparation, nanostructure, activity and application | 首都医科大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-105884863-B | 1- acetyl group-B-carboline acyl-tryptophan of LPNISKP modification, preparation, nanostructure, activity and application | 首都医科大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-105884861-B | 1- acetyl group-B-carboline acyl-tryptophan of LDV modification, preparation, nanostructure, activity and application | 首都医科大学 | 2019-09-13 | — | — | CN | disclosed |
| CN-109988124-A | A kind of inhibitor of the kidney type glutaminase allosteric site of diazole containing oxygen group elements or tetrazole structure | 杭州健昵福生物科技有限公司 | 2019-07-09 | — | — | CN | disclosed |
| US-20070037809-A1 | histone deacetylase inhibitors, used for treating preventing diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood disorders, inflammation, cancer, and/or hot flashes | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-02-15 | — | — | US | disclosed |
| US-20070037827-A1 | Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-02-15 | — | — | US | disclosed |
| US-20070037865-A1 | Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; benzimidazo drivatives | SIRTRIS PHARMACEUTICALS, INC. (US) | 2007-02-15 | — | — | US | disclosed |
| US-20070037810-A1 | Sirtuin modulating compounds | SIRTIS PHARMACEUTICALS, INC. (US) | 2007-02-15 | — | — | US | disclosed |
| CN-1071291-C | Process for the production of hydrocarbon partial oxidation products | BOC GROUP INC (US) | 2001-09-19 | — | — | CN | disclosed |
| US-5693634-A | FOR SYSTEMIC AND TOPICAL TREATMENT OF HUMANS AND ANIMALS; VETERINARY MEDICINE | GLAXO WELLCOME S.P.A. (IT) | 1997-12-02 | — | — | US | disclosed |
| EP-0728135-A1 | UREA DERIVATIVES | GLAXO WELLCOME S.p.A. (IT) | 1996-08-28 | — | — | EP | disclosed |
| CN-1119860-A | Process for purifying taxoids | RHONE POULENC RORER SA (FR) | 1996-04-03 | — | — | CN | disclosed |
| WO-1995013278-A1 | UREA DERIVATIVES | GLAXO WELLCOME S.P.A. (IT) | 1995-05-18 | — | — | WO | disclosed |
| US-5075512-A | Dissolving in polar solvent mixture, then solvent extraction with n-decane; reuse | SOCIEDAD ESPANOLA DE DESARROLLOS QUIMICOS S.A. (ES) | 1991-12-24 | — | — | US | disclosed |