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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HPGD | P15428 | 2/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SORT1 | Q99523 | 11/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | RXRA | P19793 | 1/20 | 0.39 |
| ▸ | RXRB | P28702 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 2/20 | 0.39 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
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 SCHEMBL3223306 | 1.00 | HSD17B10 (0.49) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL109108 | 0.98 | HSD17B10 (0.50) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL29441324 | 0.98 | HSD17B10 (0.50) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL1770132 | 0.98 | HSD17B10 (0.50) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL29401067 | 0.98 | HSD17B10 (0.50) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL9492931 | 0.98 | HSD17B10 (0.50) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL5549572 | 0.96 | HSD17B10 (0.49) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| Hydrochloric Acid SCHEMBL8507928 | 0.96 | HSD17B10 (0.49) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL7788888 | 0.93 | KDM4E (0.46) | HSD17B10KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL9687776 | 0.90 | TDP1 (0.54) | HSD17B10KDM4EALDH1A1HPGDTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-5121396-A | — | — | None | — | — | JP | disclosed |
| JP-4260022-A | — | — | None | — | — | JP | disclosed |
| EP-1925440-A2 | Polarizing plate, manufacturing method therefor, optical film and image display | Nitto Denko Corporation (JP) | 2008-05-28 | — | — | EP | disclosed |
| US-20080112048-A1 | POLARIZING PLATE, MANUFACTURING METHOD THEREFOR, OPTICAL FILM AND IMAGE DISPLAY | NITTO DENKO CORPORATION (JP) | 2008-05-15 | — | — | US | disclosed |
| US-6479615-B2 | FROM PYROMELLITIC ACID AND A DIAMINO-PHENYL DERIVATIVE LIKE 2,2*-BIS-TRIFLUOROMETHYL-BENZIDENE AND A SECOND AROMATIC DIAMINE; INSULATION ON A METAL FOIL | NITTO DENKO CORPORATION (JP) | 2002-11-12 | — | — | US | disclosed |
| US-20010051707-A1 | Polyamic acid, polyimide resin obtained therefrom and application thereof to circuit board | NITTO DENKO CORPORATION (JP) | 2001-12-13 | — | — | US | disclosed |
| JP-H05121396-A | SEMICONDUCTOR DEVICE AND COMPOSITION FOR INTERLAYER INSULATING FILM AND/OR SURFACE PROTECTIVE FILM FOR MULTILAYER INTERCONNECTION OF SEMICONDUCTOR | HITACHI CHEM CO LTD | 1993-05-18 | — | — | JP | disclosed |
| JP-H04260022-A | LIQUID CRYSTAL ORIENTED FILM, SUPPORTING SUBSTRATE FOR LIQUID CRYSTAL, LIQUID CRYSTAL DISPLAY ELEMENT, AND MATERIAL FOR LIQUID CRYSTAL ORIENTED FILM | HITACHI CHEM CO LTD | 1992-09-16 | — | — | JP | disclosed |