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 | |
|---|---|---|---|---|
| SCHEMBL25008 | 1.00 | — | — | |
| SCHEMBL30498455 | 1.00 | — | — | |
| SCHEMBL29172255 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL28029274 | 0.96 | — | — | |
| SCHEMBL28283743 | 0.96 | — | — | |
| SCHEMBL27982493 | 0.96 | — | — | |
| Ethylene Glycol SCHEMBL27678608 | 0.96 | — | — | |
| Methyl Alcohol SCHEMBL16240074 | 0.93 | ALDH1A1 (0.47) | — | |
| Cyanide SCHEMBL28415384 | 0.93 | — | — | |
| SCHEMBL11319645 | 0.93 | — | — |
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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4070183-A | ACETONITRILE OR CYANOETHANE STABILIZERS | ANUMIN PTY. LTD. (AU) | 1978-01-24 | — | — | US | claimed |
| EP-4398254-A2 | COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING | Memorial Sloan Kettering Cancer Center (US) | 2024-07-10 | — | — | EP | disclosed |
| EP-2991655-B1 | COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2024-04-10 | — | — | EP | disclosed |
| US-20230242540-A1 | COMPOUNDS HAVING ANTICANCER ACTIVITY | THE TRUSTEES OF PRINCETON UNIVERSITY | 2023-08-03 | — | — | US | disclosed |
| EP-4175958-A1 | COMPOUNDS HAVING ANTICANCER ACTIVITY | The Trustees of Princeton University (US) | 2023-05-10 | — | — | EP | disclosed |
| WO-2022006447-A1 | COMPOUNDS HAVING ANTICANCER ACTIVITY | THE TRUSTEES OF PRINCETON UNIVERSITY (US) | 2022-01-06 | — | — | WO | disclosed |
| EP-3579836-B1 | METHODS FOR AUTISM SPECTRUM DISORDER PHARMACOTHERAPY | PERFECT DAYLIGHT LTD (MC) | 2021-12-15 | — | — | EP | disclosed |
| US-11014956-B2 | Compositions and methods for altering second messenger signaling | Memorial Sloan Kettering Cancer Center; The Rockefeller (US) | 2021-05-25 | — | — | US | disclosed |
| US-20190330257-A1 | COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING | MEMORIAL SLOAN KETTERING CANCER CENTER | 2019-10-31 | — | — | US | disclosed |
| US-10385091-B2 | Compositions and methods for altering second messenger signaling | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2019-08-20 | — | — | US | disclosed |
| US-20110171308-A1 | PH-SENSITIVE SOLID PHARMACEUTICAL COMPOSITION FOR ORAL PREPARATION AND PREPARATION METHOD THEREOF | BEIJING UNIVERSITY (CN) | 2011-07-14 | — | — | US | disclosed |
| US-6361990-B1 | FOR PRODUCING ANIMAL FEEDS | CARGILL, INC. | 2002-03-26 | — | — | US | disclosed |
| WO-1998008954-A2 | PRODUCTION OF HEME AND RECOMBINANT HEMOPROTEINS | SOMATOGEN, INC. (US) | 1998-03-05 | — | — | WO | disclosed |
| EP-0340247-B1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1993-04-28 | — | — | EP | disclosed |
| WO-1991013903-A1 | HETEROCYCLIC STEROID COMPOUNDS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-09-19 | — | — | WO | disclosed |
| EP-0386140-A1 | FACTORS ASSOCIATED WITH ESSENTIAL HYPERTENSION | BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON, Office of Technology Transfer (US) | 1990-09-12 | — | — | EP | disclosed |
| EP-0340247-A1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO 3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS. | SCHERING AG (DE) | 1989-11-08 | — | — | EP | disclosed |
| WO-1989003836-A1 | FACTORS ASSOCIATED WITH ESSENTIAL HYPERTENSION | BOARD OF REGENTS OF THE UNIVERSITY OF WASHINGTON (US) | 1989-05-05 | — | — | WO | disclosed |
| WO-1988007050-A1 | NEW PROCESS FOR THE ANTIPODAL SEPARATION OF BICYCLO[3.3.0]OCTANE-3,7-DION-2-CARBOXYLIC ACID ESTERS AND THEIR 7-MONOCETALS | SCHERING AKTIENGESELLSCHAFT (DE) | 1988-09-22 | — | — | WO | disclosed |
| US-4070183-A | ACETONITRILE OR CYANOETHANE STABILIZERS | ANUMIN PTY. LTD. (AU) | 1978-01-24 | — | — | US | disclosed |