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 | |
|---|---|---|---|---|
| Water SCHEMBL28008508 | 0.95 | — | — | |
| Water SCHEMBL27480542 | 0.95 | — | — | |
| SCHEMBL21327 | 0.94 | — | — | |
| SCHEMBL2471012 | 0.94 | — | — | |
| Water SCHEMBL27638203 | 0.91 | — | — | |
| SCHEMBL9226294 | 0.89 | — | — | |
| SCHEMBL20481575 | 0.89 | — | — | |
| SCHEMBL10881268 | 0.89 | — | — | |
| SCHEMBL20640191 | 0.89 | — | — | |
| SCHEMBL20787983 | 0.89 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102827676-A | Lubricating grease composition and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2012-12-19 | — | — | CN | claimed |
| CN-1070911-C | Lubricants with molybdenum containing compositions and method of using the same | ELF ANTAR FRANCE (FR) | 2001-09-12 | — | — | CN | claimed |
| CN-1150971-A | Lubricants with molybdenum containing compositions and method of using the same | ELF ANTAR FRANCE (FR) | 1997-06-04 | — | — | CN | claimed |
| EP-3548567-B1 | AQUEOUS CHROMIUM-FREE COATING COMPOSITION WITH ANTI-CORROSIVE EFFECT FOR METALLIC SUBSTRATES | AKZO NOBEL COATINGS INT BV (NL) | 2020-07-22 | — | — | EP | disclosed |
| EP-3548567-A1 | CHROMIUM-FREE COATING COMPOSITION WITH ANTI-CORROSIVE EFFECT FOR METALLIC SUBSTRATES | Akzo Nobel Coatings International B.V. (NL) | 2019-10-09 | — | — | EP | disclosed |
| WO-2018099942-A1 | CHROMIUM-FREE COATING COMPOSITION WITH ANTI-CORROSIVE EFFECT FOR METALLIC SUBSTRATES | AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) | 2018-06-07 | — | — | WO | disclosed |
| CN-102822325-B | Lubricating oil composition for metal working | IDEMITSU KOSAN CO | 2015-04-22 | — | — | CN | disclosed |
| CN-104411674-A | The use of carboxylic acid esters as lubricants | BASF SE | 2015-03-11 | — | — | CN | disclosed |
| CN-103314089-A | Lubricating oil composition for sliding section comprising aluminum material, and lubricating method | JX NIPPON OIL & ENERGY CORP | 2013-09-18 | — | — | CN | disclosed |
| CN-102827676-A | Lubricating grease composition and preparation method thereof | CHINA PETROLEUM & CHEMICAL | 2012-12-19 | — | — | CN | disclosed |
| CN-102822325-A | Lubricating oil composition for metal working | IDEMITSU KOSAN CO | 2012-12-12 | — | — | CN | disclosed |
| CN-101918516-A | Comprise the heavy oil method for upgrading that spent catalyst reclaims | CHEVRON USA INC | 2010-12-15 | — | — | CN | disclosed |
| CN-1072640-C | Fluorine-contained aromatic compound | ASAHI CHEMICAL IND (JP) | 2001-10-10 | — | — | CN | disclosed |
| CN-1106453-A | Lubricating oil composition containing aromatic compound and refrigeration composition thereof | ASAHI CHEMICAL IND (JP) | 1995-08-09 | — | — | CN | disclosed |