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 | |
|---|---|---|---|---|
| SCHEMBL624418 | 0.96 | GAA (0.59) | — | |
| SCHEMBL2676730 | 0.96 | GAA (0.59) | — | |
| SCHEMBL76607 | 0.96 | — | — | |
| SCHEMBL29369547 | 0.96 | GAA (0.59) | — | |
| Fluoride SCHEMBL6264312 | 0.92 | — | — | |
| SCHEMBL7171963 | 0.92 | GAA (0.56) | — | |
| Naphthalene SCHEMBL5071443 | 0.85 | ALOX12 (0.57) | — | |
| Formaldehyde SCHEMBL1144590 | 0.85 | — | — | |
| SCHEMBL12263849 | 0.80 | NOX1 (0.46) | — | |
| SCHEMBL30127774 | 0.77 | NOX1 (0.58) | — |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5721200-A | REACTING OLEFINIC COPLYMER WITH UNSATURATED ACYLATING AGENT TO FROM A GRAFT COPOLYMER AND REDUCING MOLECULAR WEIGHT, REACTING GRAFTED COPOLYMER WITH AMINO-ALCOHOL COMPOUND | DSM COPOLYMER, INC. (US) | 1998-02-24 | — | — | US | claimed |
| US-5474694-A | Dispersant additive which is an modified alpha-olefin polymer | TEXACO INC. (US) | 1995-12-12 | — | — | US | claimed |
| US-10562878-B2 | Cycloalkylamines as monoamine reuptake inhibitors | SUNOVION PHARAMCEUTICALS INC. (US) | 2020-02-18 | — | — | US | disclosed |
| US-9868718-B2 | Cycloalkylamines as monoamine reuptake inhibitors | SUNOVION PHARMACEUTICALS INC. (US) | 2018-01-16 | — | — | US | disclosed |
| EP-1976513-B1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SUNOVION PHARMACEUTICALS INC (US) | 2016-08-24 | — | — | EP | disclosed |
| US-20150126511-A1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SUNOVION PHARMACEUTICALS INC. | 2015-05-07 | — | — | US | disclosed |
| US-8877975-B2 | Cycloalkylamines as monoamine reuptake inhibitors | SUNOVION PHARMACEUTICALS INC. (US) | 2014-11-04 | — | — | US | disclosed |
| US-20100190861-A1 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SUNOVION PHARMACEUTICALS INC. | 2010-07-29 | — | — | US | disclosed |
| EP-1976513-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | Sepracor, Inc. (US) | 2008-10-08 | — | — | EP | disclosed |
| US-20070203111-A1 | Cycloalkylamines as monoamine reuptake inhibitors | SEPRACOR INC. (US) | 2007-08-30 | — | — | US | disclosed |
| WO-2007081857-A2 | CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS | SEPRACOR INC. (US) | 2007-07-19 | — | — | WO | disclosed |
| WO-2001049761-A1 | COMPOSITIONS COMPRISING ANTIOXIDANT AMINES BASED ON N-(4-ANILINOPHENYL)AMIDES | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2001-07-12 | — | — | WO | disclosed |
| US-RE37105-E1 | GRAFT POLYMER | UNIROYAL CHEMICAL COMPANY, INC. | 2001-03-20 | — | — | US | disclosed |
| EP-0961789-A1 | LUBRICANTS CONTAINING ASHLESS ANTIWEAR-DISPERSANT ADDITIVE HAVING VISCOSITY INDEX IMPROVER CREDIT | UNIROYAL CHEMICAL COMPANY, Inc. (US) | 1999-12-08 | — | — | EP | disclosed |
| WO-1998033828-A1 | LUBRICANTS CONTAINING ASHLESS ANTIWEAR-DISPERSANT ADDITIVE HAVING VISCOSITY INDEX IMPROVER CREDIT | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| US-5721200-A | REACTING OLEFINIC COPLYMER WITH UNSATURATED ACYLATING AGENT TO FROM A GRAFT COPOLYMER AND REDUCING MOLECULAR WEIGHT, REACTING GRAFTED COPOLYMER WITH AMINO-ALCOHOL COMPOUND | DSM COPOLYMER, INC. (US) | 1998-02-24 | — | — | US | disclosed |
| US-5721200-A | REACTING OLEFINIC COPLYMER WITH UNSATURATED ACYLATING AGENT TO FROM A GRAFT COPOLYMER AND REDUCING MOLECULAR WEIGHT, REACTING GRAFTED COPOLYMER WITH AMINO-ALCOHOL COMPOUND | DSM COPOLYMER, INC. (US) | 1998-02-24 | — | — | US | disclosed |
| US-5698500-A | POLYMER CONTAINING ETHYLENE, AN ALPHA MONOOLEFIN AND A POLYENE WITH A 2-MERCAPTO-1,3,4-THIADIAZOLE MOIETY GRAFTED THEREON | UNIROYAL CHEMICAL COMPANY, INC. (US) | 1997-12-16 | — | — | US | disclosed |
| US-5474694-A | Dispersant additive which is an modified alpha-olefin polymer | TEXACO INC. (US) | 1995-12-12 | — | — | US | disclosed |
| US-5474694-A | Dispersant additive which is an modified alpha-olefin polymer | TEXACO INC. (US) | 1995-12-12 | — | — | US | disclosed |