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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.36 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.33 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 4/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL574671 | 0.98 | — | — | |
| SCHEMBL13195835 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL9743269 | 0.95 | TSHR (0.39) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 | |
| SCHEMBL3690869 | 0.91 | OPRM1 (0.46) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 | |
| SCHEMBL7554779 | 0.89 | PLA2G1B (0.48) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 | |
| SCHEMBL7556893 | 0.89 | PLA2G1B (0.48) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 | |
| SCHEMBL7555304 | 0.89 | PLA2G1B (0.48) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 | |
| SCHEMBL3683706 | 0.89 | PLA2G1B (0.48) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 | |
| SCHEMBL2290755 | 0.89 | PLA2G1B (0.48) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 | |
| SCHEMBL7554830 | 0.89 | PLA2G1B (0.48) | TSHRALDH1A1PLA2G1BPLA2G2AOPRM1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2622027-A1 | POLYMERIC OR MONOMERIC COMPOSITIONS COMPRISING AT LEAST ONE MONO-AMIDE AND/OR AT LEAST ONE DIAMIDE FOR REMOVING SUBSTANCES FROM SUBSTRATES AND METHODS OF USING THE SAME | Eastman Chemical Company (US) | 2013-08-07 | — | — | EP | claimed |
| WO-2012044460-A1 | POLYMERIC OR MONOMERIC COMPOSITIONS COMPRISING AT LEAST ONE MONO-AMIDE AND/OR AT LEAST ONE DIAMIDE FOR REMOVING SUBSTANCES FROM SUBSTRATES AND METHODS OF USING THE SAME | EASTMAN CHEMICAL COMPANY (US) | 2012-04-05 | — | — | WO | claimed |
| US-20120073607-A1 | POLYMERIC OR MONOMERIC COMPOSITIONS COMPRISING AT LEAST ONE MONO-AMIDE AND/OR AT LEAST ONE DIAMIDE FOR REMOVING SUBSTANCES FROM SUBSTRATES AND METHODS FOR USING THE SAME | EASTMAN CHEMICAL COMPANY | 2012-03-29 | — | — | US | claimed |
| US-8916338-B2 | Processes and compositions for removing substances from substrates | EASTMAN CHEMICAL COMPANY (US) | 2014-12-23 | — | — | US | disclosed |
| US-20140069458-A1 | PROCESSES AND COMPOSITIONS FOR REMOVING SUBSTANCES FROM SUBSTRATES | EASTMAN CHEMICAL COMPANY (US) | 2014-03-13 | — | — | US | disclosed |
| US-8614053-B2 | Processess and compositions for removing substances from substrates | EASTMAN CHEMICAL COMPANY (US) | 2013-12-24 | — | — | US | disclosed |
| US-20130273479-A9 | PROCESSESS AND COMPOSITIONS FOR REMOVING SUBSTANCES FROM SUBSTRATES | EASTMAN CHEMICAL COMPANY | 2013-10-17 | — | — | US | disclosed |
| EP-2622027-A1 | POLYMERIC OR MONOMERIC COMPOSITIONS COMPRISING AT LEAST ONE MONO-AMIDE AND/OR AT LEAST ONE DIAMIDE FOR REMOVING SUBSTANCES FROM SUBSTRATES AND METHODS OF USING THE SAME | Eastman Chemical Company (US) | 2013-08-07 | — | — | EP | disclosed |
| EP-2622057-A2 | PROCESSES AND COMPOSITIONS FOR REMOVING SUBSTANCES FROM SUBSTRATES | Eastman Chemical Company (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012047449-A2 | PROCESSES AND COMPOSITIONS FOR REMOVING SUBSTANCES FROM SUBSTRATES | EASTMAN CHEMICAL COMPANY (US) | 2012-04-12 | — | — | WO | disclosed |
| WO-2012044460-A1 | POLYMERIC OR MONOMERIC COMPOSITIONS COMPRISING AT LEAST ONE MONO-AMIDE AND/OR AT LEAST ONE DIAMIDE FOR REMOVING SUBSTANCES FROM SUBSTRATES AND METHODS OF USING THE SAME | EASTMAN CHEMICAL COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |
| US-20120073607-A1 | POLYMERIC OR MONOMERIC COMPOSITIONS COMPRISING AT LEAST ONE MONO-AMIDE AND/OR AT LEAST ONE DIAMIDE FOR REMOVING SUBSTANCES FROM SUBSTRATES AND METHODS FOR USING THE SAME | EASTMAN CHEMICAL COMPANY | 2012-03-29 | — | — | US | disclosed |
| US-20120077132-A1 | PROCESSESS AND COMPOSITIONS FOR REMOVING SUBSTANCES FROM SUBSTRATES | EASTMAN CHEMICAL COMPANY | 2012-03-29 | — | — | US | disclosed |
| US-20080114138-A1 | Process for the Production of Polyester Product from Alkylene Oxide and Carboxylic Acid | EASTMAN CHEMICAL COMPANY (US) | 2008-05-15 | — | — | US | disclosed |
| US-7332548-B2 | Process for production of a polyester product from alkylene oxide and carboxylic acid | EASTMAN CHEMICAL COMPANY (US) | 2008-02-19 | — | — | US | disclosed |
| EP-1720929-A1 | PROCESS FOR THE PRODUCTION OF A POLYESTER PRODUCT FROM ALKYLENE OXIDE AND CARBOXYLIC ACID | EASTMAN CHEMICAL COMPANY (US) | 2006-11-15 | — | — | EP | disclosed |
| WO-2005092950-A1 | PROCESS FOR THE PRODUCTION OF A POLYESTER PRODUCT FROM ALKYLENE OXIDE AND CARBOXYLIC ACID | EASTMAN CHEMICAL COMPANY (US) | 2005-10-06 | — | — | WO | disclosed |
| US-20050197468-A1 | Process for production of a polyester product from alkylene oxide and carboxylic acid | ALPEK POLYESTER, S.A. DE C.V. (MX) | 2005-09-08 | — | — | US | disclosed |
| US-3944430-A | Rechargeable galvanic cell and electrolyte therefor-II | UNION CARBIDE CORPORATION (US) | 1976-03-16 | — | — | US | disclosed |