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 | |
|---|---|---|---|---|
| Bromide SCHEMBL29012438 | 0.90 | — | — | |
| SCHEMBL9712415 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL56953 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL28422264 | 0.90 | MAPT (0.32) | — | |
| Hydrochloric Acid SCHEMBL22836521 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL696443 | 0.86 | — | — | |
| Acetone SCHEMBL19837822 | 0.76 | LMNA (0.43) | — | |
| SCHEMBL7123839 | 0.76 | — | — | |
| Sulfuric Acid SCHEMBL10760586 | 0.73 | CA5A (0.40) | — | |
| Acetic Acid SCHEMBL7438398 | 0.73 | FFAR3 (0.47) | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3165606-A1 | METHODS FOR TREATING OR PREVENTING OPHTHALMOLOGICAL DISEASES | Ophthotech Corporation (US) | 2017-05-10 | — | — | EP | disclosed |
| US-20160264969-A1 | METHODS FOR TREATING OR PREVENTING OPHTHALMOLOGICAL DISEASES | OPHTHOTECH CORPORATION | 2016-09-15 | — | — | US | disclosed |
| EP-3028707-A1 | METHODS FOR TREATING OR PREVENTING OPHTHALMOLOGICAL DISEASES | Ophthotech Corporation (US) | 2016-06-08 | — | — | EP | disclosed |
| US-20150182623-A1 | Compositions Comprising an Anti-PDGF Aptamer and a VEGF Antagonist | Integrity Bio, Inc. | 2015-07-02 | — | — | US | disclosed |
| US-20150157709-A1 | Compositions Comprising an Anti-PDGF Aptamer and a VEGF Antagonist | Integrity Bio, Inc. | 2015-06-11 | — | — | US | disclosed |
| US-20140179621-A1 | Methods for Treating or Preventing Ophthalmological Diseases | OPHTHOTECH CORPORATION (US) | 2014-06-26 | — | — | US | disclosed |
| US-20130323242-A1 | COMPOSITIONS COMPRISING AN ANTI-PDGF APTAMER AND A VEGF ANTAGONIST | OPHTHOTECH CORP. (US) | 2013-12-05 | — | — | US | disclosed |
| US-20120100136-A1 | METHODS FOR TREATING OR PREVENTING OPHTHALMOLOGICAL DISEASES | OPHTHOTECH CORPORATION (US) | 2012-04-26 | — | — | US | disclosed |
| US-20090233950-A1 | QUINAZOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2009-09-17 | — | — | US | disclosed |
| US-20090076075-A1 | QUINOLINE DERIVATIVES | ASTRAZENECA AB (SE) | 2009-03-19 | — | — | US | disclosed |
| US-7494996-B2 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides | DOW AGROSCIENCES LLC (US) | 2009-02-24 | — | — | US | disclosed |
| WO-2007113548-A1 | NAPHTHYRIDINE DERIVATIVES | ASTRAZENECA AB (SE) | 2007-10-11 | — | — | WO | disclosed |
| US-20040242580-A1 | Substituted 4,5-dihydro-1,2,4-triazin-6-ones, 1,2,4-triazin-6-ones and their use as fungicides and insecticides | KELLY MARTHA JEAN (US) | 2004-12-02 | — | — | US | disclosed |