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 | |
|---|---|---|---|---|
| SCHEMBL1567 | 1.00 | — | — | |
| Phosphine SCHEMBL11344163 | 0.93 | — | — | |
| SCHEMBL1370459 | 0.93 | — | — | |
| SCHEMBL3648065 | 0.93 | — | — | |
| SCHEMBL331 | 0.93 | — | — | |
| Water SCHEMBL647336 | 0.93 | — | — | |
| SCHEMBL10535380 | 0.93 | — | — | |
| SCHEMBL732100 | 0.93 | — | — | |
| Ammonia Solution, Strong SCHEMBL1728007 | 0.93 | — | — | |
| SCHEMBL4133917 | 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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3899532-B1 | A LABELLING METHOD TO DISTINGUISH ISOBARIC AMINO ACIDS AND AMINO ACID COMBINATIONS | RAPID NOVOR INC (CA) | 2024-02-14 | — | — | EP | disclosed |
| US-20220026438-A1 | A LABELLING METHOD TO DISTINGUISH ISOBARIC AMINO ACIDS AND AMINO ACID COMBINATIONS | RAPID NOVOR INC. (CA) | 2022-01-27 | — | — | US | disclosed |
| EP-3899532-A1 | A LABELLING METHOD TO DISTINGUISH ISOBARIC AMINO ACIDS AND AMINO ACID COMBINATIONS | Rapid Novor Inc. (CA) | 2021-10-27 | — | — | EP | disclosed |
| WO-2020124252-A1 | A LABELLING METHOD TO DISTINGUISH ISOBARIC AMINO ACIDS AND AMINO ACID COMBINATIONS | RAPID NOVOR INC. (CA) | 2020-06-25 | — | — | WO | disclosed |
| US-9777076-B2 | Saccharides and uses thereof | PFIZER INC. (US) | 2017-10-03 | — | — | US | disclosed |
| EP-2561854-B1 | Particles that disrupt or impede bacterial adhesion, related compositions and methods | COLGATE PALMOLIVE CO (US) | 2016-06-08 | — | — | EP | disclosed |
| EP-1948124-B1 | PARTICLES THAT INHIBIT OR REDUCE BACTERIAL ADHESION ON AN ORAL SURFACE, RELATED COMPOSITIONS AND METHODS | COLGATE PALMOLIVE CO (US) | 2016-05-11 | — | — | EP | disclosed |
| US-20160002361-A1 | SACCHARIDES AND USES THEREOF | WYETH LLC | 2016-01-07 | — | — | US | disclosed |
| EP-2872535-A1 | SACCHARIDES AND USES THEREOF | Pfizer Inc. (US) | 2015-05-20 | — | — | EP | disclosed |
| US-8883166-B2 | Combination vaccines with whole cell pertussis antigen | NOVARTIS AG (CH) | 2014-11-11 | — | — | US | disclosed |
| US-5053048-A | Thromboresistant coating | CORDIS CORPORATION (US) | 1991-10-01 | — | — | US | disclosed |
| US-4902506-A | Immunogenic conjugates | THE UNIVERSITY OF ROCHESTER (US) | 1990-02-20 | — | — | US | disclosed |
| US-4808700-A | VACCINE FOR IMMUNIZATION OF YOUNG MAMMALS AGAINST INFECTIONS | PRAXIS BIOLOGICS, INC. (US) | 1989-02-28 | — | — | US | disclosed |
| US-4762713-A | FOR INFANTS | THE UNIVERSITY OF ROCHESTER (US) | 1988-08-09 | — | — | US | disclosed |
| US-4761283-A | REDUCTIVE AMINATION, ANTIBODIES | THE UNIVERSITY OF ROCHESTER (US) | 1988-08-02 | — | — | US | disclosed |
| WO-1987006838-A1 | IMMUNOGENIC CONJUGATES | PRAXIS BIOLOGICS, INC. (US) | 1987-11-19 | — | — | WO | disclosed |
| EP-0245045-A2 | Immunogenic conjugates | PRAXIS BIOLOGICS, INC. (US) | 1987-11-11 | — | — | EP | disclosed |
| US-4673574-A | Immunogenic conjugates | UNIVERSITY OF ROCHESTER, THE | 1987-06-16 | — | — | US | disclosed |
| WO-1986001228-A1 | IMMUNOGENIC CONJUGATES OF E. COLI LT-B ENTEROTOXIN SUBUNIT AND CAPSULAR POLYMERS | PRAXIS BIOLOGICS, INC. (US) | 1986-02-27 | — | — | WO | disclosed |
| EP-0172107-A1 | Immunogenic conjugates of E. coli LT-B enterotoxin subunit and capsular polymers | PRAXIS BIOLOGICS, INC. (US) | 1986-02-19 | — | — | EP | disclosed |