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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.43 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | SRC | P12931 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA3 | P07451 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | DRD1 | P21728 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
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 SCHEMBL564812 | 1.00 | LMNA (0.62) | LMNAMAPK1SRCHIF1ATSHR | |
| Water SCHEMBL9428543 | 0.98 | LMNA (0.60) | LMNAMAPK1SRCHIF1ATSHR | |
| Water SCHEMBL11129486 | 0.98 | LMNA (0.60) | LMNAMAPK1SRCHIF1ATSHR | |
| Water SCHEMBL27334074 | 0.98 | LMNA (0.60) | LMNAMAPK1SRCHIF1ATSHR | |
| SCHEMBL352555 | 0.98 | LMNA (0.65) | LMNAMAPK1SRCHIF1ATSHR | |
| SCHEMBL1957930 | 0.98 | LMNA (0.65) | LMNAMAPK1SRCHIF1ATSHR | |
| SCHEMBL31484031 | 0.98 | LMNA (0.65) | LMNAMAPK1SRCHIF1ATSHR | |
| SCHEMBL467741 | 0.98 | LMNA (0.65) | LMNAMAPK1SRCHIF1ATSHR | |
| SCHEMBL5088395 | 0.95 | LMNA (0.62) | LMNAMAPK1SRCHIF1ATSHR | |
| SCHEMBL5336172 | 0.95 | LMNA (0.62) | LMNAMAPK1SRCHIF1ATSHR |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115521278-B | Preparation method of benzofuranone derivative | 海南大学 | 2024-03-22 | — | — | CN | claimed |
| CN-115521278-A | Preparation method of benzofuranone derivative | 海南大学 | 2022-12-27 | — | — | CN | claimed |
| EP-1300488-B1 | Plating path and method for depositing a metal layer on a substrate | ROHM & HAAS ELECT MAT (US) | 2017-09-27 | — | — | EP | claimed |
| US-20050139118-A1 | Brightener degradation inhibitor compound in copper plating bath | SHIPLEY COMPANY, L.L.C. (US) | 2005-06-30 | — | — | US | claimed |
| US-6911068-B2 | Plating bath and method for depositing a metal layer on a substrate | SHIPLEY COMPANY, L.L.C. (US) | 2005-06-28 | — | — | US | claimed |
| US-20040206631-A1 | Plating bath and method for depositing a metal layer on a substrate | SHIPLEY COMPANY, L.L.C. | 2004-10-21 | — | — | US | claimed |
| EP-1300488-A2 | Plating path and method for depositing a metal layer on a substrate | Shipley Co. L.L.C. (US) | 2003-04-09 | — | — | EP | claimed |
| US-5683793-A | Ink jet transparencies | XEROX CORPORATION (US) | 1997-11-04 | — | — | US | claimed |
| US-5589277-A | INK JET PRINTING, AQUEOUS INKS, FAST DRYING | XEROX CORPORATION (US) | 1996-12-31 | — | — | US | claimed |
| EP-0667246-A1 | Recording sheets containing amino acids, hydroxy acids, and polycarboxyl compounds | XEROX CORPORATION (US) | 1995-08-16 | — | — | EP | claimed |
| CN-115521278-B | Preparation method of benzofuranone derivative | 海南大学 | 2024-03-22 | — | — | CN | disclosed |
| CN-115521278-B | Preparation method of benzofuranone derivative | 海南大学 | 2024-03-22 | — | — | CN | disclosed |
| CN-115521278-A | Preparation method of benzofuranone derivative | 海南大学 | 2022-12-27 | — | — | CN | disclosed |
| CN-115521278-A | Preparation method of benzofuranone derivative | 海南大学 | 2022-12-27 | — | — | CN | disclosed |
| EP-1300488-B1 | Plating path and method for depositing a metal layer on a substrate | ROHM & HAAS ELECT MAT (US) | 2017-09-27 | — | — | EP | disclosed |
| US-5358955-A | Antiinflammatory agents | ABBOTT LABORATORIES (US) | 1994-10-25 | — | — | US | disclosed |
| US-4590295-A | Process for the manufacture of p-hydroxyphenyl-acetic acid | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-05-20 | — | — | US | disclosed |
| US-4339594-A | HYDROGENATION, HYDROGENATION CATALYSTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-07-13 | — | — | US | disclosed |
| US-4337355-A | CATALYTIC REDUCTION OF 4-HYDROXYMANDELIC ACID, WATER-ALIPHATIC ACID MEDIUM | NIPPON GOHSEI KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 1982-06-29 | — | — | US | disclosed |
| US-4198523-A | SODIUM OR POTASSIUM. SOLID INTERMEDIATE FOR ATENOLOL | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1980-04-15 | — | — | US | disclosed |