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 SCHEMBL4820615 | 1.00 | — | — | |
| SCHEMBL926283 | 0.96 | — | — | |
| Methylene Chloride SCHEMBL4413897 | 0.94 | TP53 (0.38) | — | |
| Hydrochloric Acid SCHEMBL749078 | 0.93 | — | — | |
| Water SCHEMBL2842215 | 0.73 | — | — | |
| Water SCHEMBL11044051 | 0.71 | — | — | |
| SCHEMBL6308167 | 0.69 | — | — | |
| Water SCHEMBL6259098 | 0.63 | — | — | |
| Chloroform SCHEMBL1880077 | 0.62 | — | — | |
| Water SCHEMBL7976638 | 0.60 | — | — |
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 1557 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2080760-A1 | Fused quinoline derivative and use thereof | Takeda Pharmaceutical Company Limited (JP) | 2009-07-22 | — | — | EP | claimed |
| US-20240239784-A1 | INDOLE COMPOUNDS AND METHODS OF USE | GENZYME CORPORATION | 2024-07-18 | — | — | US | disclosed |
| EP-4396176-A1 | INDOLE COMPOUNDS AND USES THEREOF IN THE TREATEMENT OF CYSTIC FIBROSIS | GENZYME CORPORATION (US) | 2024-07-10 | — | — | EP | disclosed |
| US-20240158356-A1 | DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS | ROCHE PALO ALTO LLC (US) | 2024-05-16 | — | — | US | disclosed |
| US-20240122854-A1 | NOVEL CARBONYL LIPIDS AND LIPID NANOPARTICLE FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS | ACUITAS THERAPEUTICS INC (CA) | 2024-04-18 | — | — | US | disclosed |
| EP-3615510-B1 | NOVEL CARBONYL LIPIDS AND LIPID NANOPARTICLE FORMULATIONS FOR DELIVERY OF NUCLEIC ACIDS | ACUITAS THERAPEUTICS INC (CA) | 2024-03-27 | — | — | EP | disclosed |
| US-20240092746-A1 | OPIOID RECEPTOR MODULATORS | EPIODYNE, INC. | 2024-03-21 | — | — | US | disclosed |
| US-11912699-B2 | Tau-protein targeting compounds and associated | ARVINAS OPERATIONS, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| CN-117425644-A | Opioid receptor modulators | 埃皮欧黛公司 | 2024-01-19 | — | — | CN | disclosed |
| US-20240009153-A1 | BUMETANIDE ANALOGS, COMPOSITIONS AND METHODS OF USE | NEUROPRO THERAPEUTICS, INC. | 2024-01-11 | — | — | US | disclosed |
| EP-0129509-A2 | Triazolo (2,3-c)(1,3)benzodiazepines, process for their preparation, pharmaceutical compositions containing them and their therapeutical use | CIBA-GEIGY AG (CH) | 1984-12-27 | — | — | EP | disclosed |
| US-4468513-A | 2'-N-Acylated and 2'-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides | ELI LILLY AND COMPANY (US) | 1984-08-28 | — | — | US | disclosed |
| US-4468512-A | 1-N-Acylated and 1-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides | ELI LILLY AND COMPANY (US) | 1984-08-28 | — | — | US | disclosed |
| EP-0116431-A1 | Aromatase inhibiting pyrimidine derivatives | ELI LILLY AND COMPANY (US) | 1984-08-22 | — | — | EP | disclosed |
| EP-0102034-A1 | Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1984-03-07 | — | — | EP | disclosed |
| US-4424345-A | 1-N-Acylated and 1-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides and process | ELI LILLY AND COMPANY (US) | 1984-01-03 | — | — | US | disclosed |
| US-4424344-A | 2-N-Acylated and 2-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides and process | ELI LILLY AND COMPANY (US) | 1984-01-03 | — | — | US | disclosed |
| US-4331804-A | ANTIBIOTICS | ABBOTT LABORATORIES (US) | 1982-05-25 | — | — | US | disclosed |
| EP-0048614-A1 | 1-N-acylated and 1-N-alkylated derivatives of 4-0-substituted -2-deoxystreptamine aminoglycosides | ELI LILLY AND COMPANY (US) | 1982-03-31 | — | — | EP | disclosed |
| EP-0048613-A1 | 4-0-Substituted -2-deoxystreptamine aminoglycoside derivatives, their preparation and formulations containing them | ELI LILLY AND COMPANY (US) | 1982-03-31 | — | — | EP | disclosed |