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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 known ✓ | P04626 | 1/20 | 0.46 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.44 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.68 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | HBB | P68871 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL23664 | 0.97 | ALDH1A1 (0.72) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4853659 | 0.97 | ALDH1A1 (0.72) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL29532882 | 0.97 | ALDH1A1 (0.72) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4848746 | 0.97 | ALDH1A1 (0.72) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL190685 | 0.94 | ALDH1A1 (0.68) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4850502 | 0.94 | ALDH1A1 (0.68) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL25966 | 0.94 | ALDH1A1 (0.68) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL31127473 | 0.94 | ALDH1A1 (0.68) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL15063036 | 0.94 | ALDH1A1 (0.68) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 | |
| SCHEMBL4853466 | 0.94 | ALDH1A1 (0.68) | ALDH1A1HSD17B10HIF1ACYP1B1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105623186-B | A method of it is moisture resistance hot to improve CEM-1 copper-clad laminate | 陕西生益科技有限公司 | 2018-12-21 | — | — | CN | claimed |
| CN-103275658-B | The preparation method of peelable release flame-proof acrylic ester pressure-sensitive | LI JI (CN) | 2015-09-16 | — | — | CN | claimed |
| CN-103275658-A | Preparation method of removable flame-retardant acrylate pressure-sensitive adhesive | LI JI | 2013-09-04 | — | — | CN | claimed |
| CN-102518003-A | Preparation method for halogen-free flame retardant polyester labeled paper | SICHUAN DONGFANG INSULATING MATERIAL CO LTD | 2012-06-27 | — | — | CN | claimed |
| CN-103649224-B | Non-halogenated fire retardant polycarbonate compound | POLYONE CORP. (US) | 2016-02-10 | — | — | CN | disclosed |
| CN-105283507-A | Flame-retardant polycarbonate compounds which are completely non-halogenated | POLYONE CORP | 2016-01-27 | — | — | CN | disclosed |
| CN-103275658-B | The preparation method of peelable release flame-proof acrylic ester pressure-sensitive | LI JI (CN) | 2015-09-16 | — | — | CN | disclosed |
| CN-103275657-B | Peelable release flame-proof acrylic ester pressure-sensitive | Jiangsu Rui Jida building materials Science and Technology Ltd. (CN) | 2015-09-16 | — | — | CN | disclosed |
| CN-104487512-A | Non-halogenated flame retardant polycarbonate compounds | POLYONE CORP | 2015-04-01 | — | — | CN | disclosed |
| CN-103649224-A | Non-halogenated flame retardant polycarbonate compounds | POLYONE CORP | 2014-03-19 | — | — | CN | disclosed |
| CN-103275658-A | Preparation method of removable flame-retardant acrylate pressure-sensitive adhesive | LI JI | 2013-09-04 | — | — | CN | disclosed |
| CN-103275657-A | Removable flame-retardant acrylate pressure-sensitive adhesive | LI JI | 2013-09-04 | — | — | CN | disclosed |
| CN-102518003-A | Preparation method for halogen-free flame retardant polyester labeled paper | SICHUAN DONGFANG INSULATING MATERIAL CO LTD | 2012-06-27 | — | — | CN | disclosed |
| CN-1131265-C | Crosslinked phenoxyphosphazene compound, flame retardant, flame-retardant resin composition, and flame-retardant resin molded article | OTSUKA CHEMICAL CO LTD (JP) | 2003-12-17 | — | — | CN | disclosed |
| CN-1122691-C | Flame-retardant resin composition | OTSUKA CHEMICAL CO LTD (JP) | 2003-10-01 | — | — | CN | disclosed |
| CN-1120197-C | Powdery flame retardent | OTSUKA CHEMICAL CO LTD (JP) | 2003-09-03 | — | — | CN | disclosed |
| CN-1313877-A | Powdery flame retardent | OTSUKA CHEMICAL CO LTD (JP) | 2001-09-19 | — | — | CN | disclosed |
| CN-1309684-A | Flame-retardant resin composition | OTSUKA CHEMICAL CO LTD (JP) | 2001-08-22 | — | — | CN | disclosed |
| CN-1242784-A | Crosslinked phenoxyphosphazene compounds, flame-retardant, flame-retardant resin compositions, and moldings of flame-retardant resins | OTSUKA CHEMICAL CO LTD (JP) | 2000-01-26 | — | — | CN | disclosed |