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.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | OXTR | P30559 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | ITGAL | P20701 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL758245 | 0.98 | MAOA (0.48) | MAOAMAOBGAANPSR1AHR | |
| SCHEMBL292788 | 0.74 | MAOA (0.50) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL30356272 | 0.74 | MAOA (0.50) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL11391339 | 0.72 | MAOA (0.48) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL1862899 | 0.72 | MAOA (0.48) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL2006248 | 0.72 | MAOA (0.48) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL1939933 | 0.72 | MAOA (0.48) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL753891 | 0.72 | MAOA (0.48) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL292480 | 0.72 | MAOA (0.48) | MAOAMAOBGAANPSR1NPC1 | |
| SCHEMBL57273 | 0.72 | MAOA (0.48) | MAOAMAOBGAANPSR1NPC1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2444010-B1 | Medical implant detachment systems | STRYKER EUROPEAN HOLDINGS I LLC (US) | 2017-03-01 | — | — | EP | disclosed |
| US-8974513-B2 | Medical implant detachment systems and methods | STRYKER CORPORATION (US) | 2015-03-10 | — | — | US | disclosed |
| US-20120271344-A1 | MEDICAL IMPLANT DETACHMENT SYSTEMS AND METHODS | STRYKER NV OPERATIONS LIMITED (IE) | 2012-10-25 | — | — | US | disclosed |
| US-8221483-B2 | Medical implant detachment systems and methods | STRYKER CORPORATION (US) | 2012-07-17 | — | — | US | disclosed |
| EP-2444010-A2 | Medical implant detachment systems | Stryker NV Operations Limited (IE) | 2012-04-25 | — | — | EP | disclosed |
| EP-2155077-A2 | MEDICAL IMPLANT DETACHMENT SYSTEMS | Boston Scientific Scimed, Inc. (US) | 2010-02-24 | — | — | EP | disclosed |
| US-20090062726-A1 | MEDICAL IMPLANT DETACHMENT SYSTEMS AND METHODS | BSOTON SCIENTIFIC SCIMED, INC. (US) | 2009-03-05 | — | — | US | disclosed |
| WO-2008144587-A2 | MEDICAL IMPLANT DETACHMENT SYSTEMS | BOSTON SCIENTIFIC SCIMED, INC. (US) | 2008-11-27 | — | — | WO | disclosed |