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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 5/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.45 |
| ▸ | CRHBP | P24387 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.45 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14156867 | 0.97 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL10066151 | 0.97 | ALDH1A1 (0.56) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL13862579 | 0.90 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL18533159 | 0.90 | ALDH1A1 (0.50) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL23078500 | 0.88 | ALDH1A1 (0.48) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL25899145 | 0.88 | ALDH1A1 (0.48) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL13769440 | 0.88 | ALDH1A1 (0.48) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL13475532 | 0.86 | ALDH1A1 (0.46) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL14724816 | 0.86 | ALDH1A1 (0.46) | ALDH1A1MAPTL3MBTL1TDP1KDM4E | |
| SCHEMBL16596777 | 0.86 | ALDH1A1 (0.46) | ALDH1A1MAPTL3MBTL1TDP1KDM4E |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105482487-A | Highly-fluorescent and photo-stable chromophores for enhanced solar harvesting efficiency | NITTO DENKO CORP | 2016-04-13 | — | — | CN | disclosed |
| CN-105418582-A | Highly-Fluorescent And Photo-Stable Chromophores For Enhanced Solar Harvesting Efficiency | NITTO DENKO CORP | 2016-03-23 | — | — | CN | disclosed |
| CN-105419380-A | Highly-Fluorescent And Photo-Stable Chromophores For Enhanced Solar Harvesting Efficiency | NITTO DENKO CORP | 2016-03-23 | — | — | CN | disclosed |
| CN-105419379-A | HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR ENHANCED SOLAR HARVESTING EFFICIENCY | NITTO DENKO CORP | 2016-03-23 | — | — | CN | disclosed |
| CN-103562323-B | Highly fluorescent and photostable chromophores for enhanced solar harvesting efficiency | NITTO DENKO CORP. (JP) | 2016-01-20 | — | — | CN | disclosed |
| CN-102257097-B | Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same | DONGWOO FINE CHEM CO LTD | 2014-11-05 | — | — | CN | disclosed |
| CN-103562323-A | Highly fluorescent and photostable chromophores for enhanced solar harvesting efficiency | NITTO DENKO CORP | 2014-02-05 | — | — | CN | disclosed |
| CN-102257097-A | Asymmetrical aryl amine derivative for organic electroluminescence devices, method for preparing same, organic thin film for organic electroluminescence devices and organic electroluminescence device using same | DONGWOO FINE CHEM CO LTD | 2011-11-23 | — | — | CN | disclosed |