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 SCHEMBL15666534 | 1.00 | — | — | |
| SCHEMBL28014 | 0.94 | ALDH1A1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL1554658 | 0.89 | — | — | |
| Fluoride SCHEMBL1399379 | 0.89 | — | — | |
| SCHEMBL29561426 | 0.89 | — | — | |
| SCHEMBL5014786 | 0.89 | — | — | |
| SCHEMBL4826014 | 0.89 | — | — | |
| SCHEMBL1143571 | 0.89 | — | — | |
| Water SCHEMBL17511839 | 0.87 | — | — | |
| Methylsulfanylmethane SCHEMBL7061005 | 0.87 | — | — |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240216519-A1 | SMALL HYDROPHOBIC PROTEIN DRUG CONJUGATES AND USES THEREOF | DANMARKS TEKNISKE UNIVERSITET (DK) | 2024-07-04 | — | — | US | disclosed |
| US-20240197643-A1 | ORAL DELIVERY OF NANOPARTICLES FOR KIDNEY DISEASE | UNIVERSITY OF SOUTHERN CALIFORNIA (US) | 2024-06-20 | — | — | US | disclosed |
| US-20240131032-A1 | AN ACTIVITY-GUIDED MAP OF ELECTROPHILE-CYSTEINE INTERACTIONS IN PRIMARY HUMAN IMMUNE CELLS | THE SCRIPPS RESEARCH INSTITUTE | 2024-04-25 | — | — | US | disclosed |
| US-20240123078-A1 | COMPOUNDS AND METHODS FOR MODULATING IMMUNE-RELATED PROTEINS | VIVIDION THERAPEUTICS, INC. | 2024-04-18 | — | — | US | disclosed |
| US-20230279068-A1 | TARGETING ANABOLIC DRUGS FOR ACCELERATED FRACTURE REPAIR | PURDUE RESEARCH FOUNDATION | 2023-09-07 | — | — | US | disclosed |
| US-11414405-B2 | Compounds for use in synthesis of peptidomimetics | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) | 2022-08-16 | — | — | US | disclosed |
| US-20210130331-A1 | COMPOUNDS FOR USE IN SYNTHESIS OF PEPTIDOMIMETICS | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) | 2021-05-06 | — | — | US | disclosed |
| WO-2021076703-A1 | COMPOUNDS AND METHODS FOR MODULATING IMMUNE-RELATED PROTEINS | VIVIDION THERAPEUTICS, INC. (US) | 2021-04-22 | — | — | WO | disclosed |
| EP-3720854-B1 | SOLID PHASE SYNTHESIS OF NIR FLUORESCENT PROBE | BRACCO IMAGING SPA (IT) | 2021-04-21 | — | — | EP | disclosed |
| US-10919882-B2 | Compounds for use in synthesis of peptidomimetics | THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) | 2021-02-16 | — | — | US | disclosed |
| US-7531505-B2 | Compositions and methods for promoting attachment of cells of endothelial cell lineage to medical devices | AFFINERGY, INC. (US) | 2009-05-12 | — | — | US | disclosed |
| EP-1973492-A2 | COMPOSITIONS AND METHODS FOR PROMOTING ATTACHMENT OF CELLS OF ENDOTHELIAL CELL LINEAGE TO MEDICAL DEVICES | Affinergy Inc. (US) | 2008-10-01 | — | — | EP | disclosed |
| US-20080015138-A1 | Metal binding compounds, metal binding compositions, and their uses | AFFINERGY, INC. (US) | 2008-01-17 | — | — | US | disclosed |
| US-20070166350-A1 | Compositions and methods for promoting attachment of cells of endothelial cell lineage to medical devices | AFFINERGY, LLC | 2007-07-19 | — | — | US | disclosed |
| WO-2007081942-A2 | COMPOSITIONS AND METHODS FOR PROMOTING ATTACHMENT OF CELLS OF ENDOTHELIAL CELL LINEAGE TO MEDICAL DEVICES | AFFINERGY, INC. (US) | 2007-07-19 | — | — | WO | disclosed |
| EP-1380582-B1 | FSH mimetics for the treatment of infertility | APPLIED RESEARCH SYSTEMS (AN) | 2006-06-14 | — | — | EP | disclosed |
| EP-1102763-B1 | FSH MIMETICS FOR THE TREATMENT OF INFERTILITY | APPLIED RESEARCH SYSTEMS (AN) | 2004-10-13 | — | — | EP | disclosed |
| EP-1380582-A1 | FSH mimetics for the treatment of infertility | Applied Research Systems ARS Holding N.V. (AN) | 2004-01-14 | — | — | EP | disclosed |
| EP-1102763-A2 | FSH MIMETICS FOR THE TREATMENT OF INFERTILITY | Applied Research Systems ARS Holding N.V. (AN) | 2001-05-30 | — | — | EP | disclosed |
| WO-2000008015-A2 | FSH MIMETICS FOR THE TREATMENT OF INFERTILITY | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2000-02-17 | — | — | WO | disclosed |