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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL8423364 | 0.96 | CA1 (0.31) | CA1CA4FAHD1 | |
| Water SCHEMBL27547852 | 0.96 | CA1 (0.31) | CA1CA4FAHD1 | |
| Water SCHEMBL8461126 | 0.96 | CA1 (0.31) | CA1CA4FAHD1 | |
| Water SCHEMBL360484 | 0.96 | CA1 (0.31) | CA1CA4FAHD1 | |
| SCHEMBL23592 | 0.96 | CA4 (0.36) | CA1CA4FAHD1 | |
| Water SCHEMBL23800674 | 0.92 | CA1 (0.33) | CA1CA4FAHD1 | |
| Ammonia Solution, Strong SCHEMBL2338449 | 0.92 | CA1 (0.33) | CA1CA4FAHD1 | |
| SCHEMBL2353885 | 0.92 | CA1 (0.33) | CA1CA4FAHD1 | |
| Lithium Ion SCHEMBL9249821 | 0.92 | CA1 (0.33) | CA1CA4FAHD1 | |
| Water SCHEMBL14863003 | 0.92 | CA1 (0.33) | CA1CA4FAHD1 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9879120-B2 | Resin for precipitation of minerals and salts, methods of manufacture and uses thereof | WATTS REGULATOR CO. (US) | 2018-01-30 | — | — | US | claimed |
| US-20120211419-A1 | RESIN FOR PRECIPITATION OF MINERALS AND SALTS, METHODS OF MANUFACTURE AND USES THEREOF | WATTS WATER TECHNOLOGIES, INC. (US) | 2012-08-23 | — | — | US | claimed |
| WO-2010124354-A1 | RESIN FOR PRECIPITATION OF MINERALS AND SALTS. METHODS OF MANUFACTURE AND USES THEREOF | WATTS WATER QUALITY AND CONDITIONING PRODUCTS, INC. (US) | 2010-11-04 | — | — | WO | claimed |
| CN-1660858-B | Process for preparation of dialkylphosphinic salts | CLARIANT GMBH | 2010-08-11 | — | — | CN | claimed |
| EP-0147692-B2 | POLY(ARYLENE SULFIDE) COMPOSITION AND ARTICLE OF MANUFACTURE | PHILLIPS PETROLEUM COMPANY (US) | 1992-02-26 | — | — | EP | claimed |
| EP-0147692-B1 | POLY(ARYLENE SULFIDE) COMPOSITION AND ARTICLE OF MANUFACTURE | PHILLIPS PETROLEUM COMPANY (US) | 1988-08-24 | — | — | EP | claimed |
| EP-0147692-A1 | Poly(arylene sulfide) composition and article of manufacture | PHILLIPS PETROLEUM COMPANY (US) | 1985-07-10 | — | — | EP | claimed |
| JP-7080298-A | — | — | None | — | — | JP | disclosed |
| US-9879120-B2 | Resin for precipitation of minerals and salts, methods of manufacture and uses thereof | WATTS REGULATOR CO. (US) | 2018-01-30 | — | — | US | disclosed |
| US-20120211419-A1 | RESIN FOR PRECIPITATION OF MINERALS AND SALTS, METHODS OF MANUFACTURE AND USES THEREOF | WATTS WATER TECHNOLOGIES, INC. (US) | 2012-08-23 | — | — | US | disclosed |
| WO-2010124354-A1 | RESIN FOR PRECIPITATION OF MINERALS AND SALTS. METHODS OF MANUFACTURE AND USES THEREOF | WATTS WATER QUALITY AND CONDITIONING PRODUCTS, INC. (US) | 2010-11-04 | — | — | WO | disclosed |
| EP-0739381-A1 | POLYMER COMPOSITIONS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1996-10-30 | — | — | EP | disclosed |
| JP-H0780298-A | MAGNESIUM/ALUMINUM MIXED OXIDE CATALYST | UNION CARBIDE CHEM & PLAST TECHNOL CORP | 1995-03-28 | — | — | JP | disclosed |
| WO-1995002638-A1 | POLYMER COMPOSITIONS | SHELL OIL COMPANY (US) | 1995-01-26 | — | — | WO | disclosed |
| US-4053568-A | PROCESS FOR THE PREPARATION OF ANTACID ALUMINUM HYDROXYCARBONATE HYDRATE | DR. MADAUS & CO. (DT) | 1977-10-11 | — | — | US | disclosed |