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 | |
|---|---|---|---|---|
| ▸ | DHFR known ✓ | P00374 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 4/20 | 0.49 |
| ▸ | HNF4A | P41235 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 3/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | PTPN6 | P29350 | 2/20 | 0.45 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | FABP3 | P05413 | 1/20 | 0.43 |
| ▸ | FABP4 | P15090 | 1/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | ACMSD | Q8TDX5 | 3/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.41 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.41 |
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 SCHEMBL17259196 | 1.00 | PTPN1 (0.49) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| Biphenyl SCHEMBL195288 | 0.98 | PTPN1 (0.51) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| Benzene SCHEMBL3625753 | 0.98 | PTPN1 (0.50) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| SCHEMBL49835 | 0.98 | PTPN1 (0.50) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| SCHEMBL29478249 | 0.98 | PTPN1 (0.50) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| Hydrochloric Acid SCHEMBL15549923 | 0.96 | PTPN1 (0.49) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| SCHEMBL8804751 | 0.96 | PTPN1 (0.49) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| SCHEMBL28702995 | 0.96 | PTPN1 (0.49) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| SCHEMBL28354634 | 0.96 | PTPN1 (0.49) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 | |
| Methane SCHEMBL29177518 | 0.96 | PTPN1 (0.49) | PTPN1HNF4AAKR1C2AKR1C1AKR1C3 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240279510-A1 | POLYMER RESIN COMPOSITION, METHOD OF PREPARING POLYMER FILM, POLYMER FILM, SUBSTRATE FOR DISPLAY DEVICE, AND OPTICAL DEVICE USING THE SAME | LG CHEM, LTD. (KR) | 2024-08-22 | — | — | US | disclosed |
| EP-4321574-A1 | POLYMER RESIN COMPOSITION, METHOD FOR MANUFACTURING POLYMER RESIN FILM, POLYMER RESIN FILM AND SUBSTRATE FOR DISPLAY DEVICE USING SAME, AND OPTICAL DEVICE | Lg Chem, Ltd. (KR) | 2024-02-14 | — | — | EP | disclosed |
| CN-117321129-A | Polymer resin composition, method for preparing polymer film, substrate for display device using the same, and optical device | 株式会社LG化学 | 2023-12-29 | — | — | CN | disclosed |
| CN-112852257-B | Nonaqueous dispersion of fluorine-containing resin, heat-curable resin composition of fluorine-containing resin using same, and cured product thereof | 三菱铅笔株式会社 | 2022-06-07 | — | — | CN | disclosed |
| CN-107434945-B | Nonaqueous dispersion of fluorine-containing resin, heat-curable resin composition of fluorine-containing resin using same, and cured product thereof | 三菱铅笔株式会社 | 2022-02-25 | — | — | CN | disclosed |
| CN-107434944-B | Nonaqueous dispersion of fluorine-containing resin, heat-curable resin composition of fluorine-containing resin using same, and cured product thereof | 三菱铅笔株式会社 | 2022-01-28 | — | — | CN | disclosed |
| CN-112852257-A | Nonaqueous dispersion of fluorine-containing resin, heat-curable resin composition of fluorine-containing resin using same, and cured product thereof | 三菱铅笔株式会社 | 2021-05-28 | — | — | CN | disclosed |
| CN-112778876-A | Nonaqueous dispersion of fluorine-containing resin, heat-curable resin composition of fluorine-containing resin using same, and cured product thereof | 三菱铅笔株式会社 | 2021-05-11 | — | — | CN | disclosed |
| CN-107429028-B | Non-aqueous dispersion of fluorine-containing resin, product containing the same, and method for producing the same | 三菱铅笔株式会社 | 2020-06-23 | — | — | CN | disclosed |
| EP-0803886-B1 | Solid electrolytic capacitors comprising a conductive layer made of a polymer of pyrrole or its derivative and method for making the same | MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) | 2003-06-18 | — | — | EP | disclosed |
| US-6206937-B1 | MULTILAYER; ELECTRODE, DIELECTRIC, COUNTERELECTRODE | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 2001-03-27 | — | — | US | disclosed |
| US-5812367-A | Solid electrolytic capacitors comprising a conductive layer made of a polymer of pyrrole or its derivative | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1998-09-22 | — | — | US | disclosed |
| EP-0803886-A2 | Solid electrolytic capacitors comprising a conductive layer made of a polymer of pyrrole or its derivative and method for making the same | MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) | 1997-10-29 | — | — | EP | disclosed |