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 | 4/20 | 0.57 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.57 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | S100A4 | P26447 | 2/20 | 0.57 |
| ▸ | APAF1 | O14727 | 2/20 | 0.57 |
| ▸ | TDP2 | O95551 | 2/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | CES2 | O00748 | 1/20 | 0.57 |
| ▸ | TERT | O14746 | 1/20 | 0.57 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.57 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.57 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
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 SCHEMBL28139318 | 1.00 | MEN1 (0.57) | MEN1KMT2AMAPK1NPC1MAOA | |
| Water SCHEMBL27457034 | 1.00 | MEN1 (0.57) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL28694051 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL29543474 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL29437946 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL29067593 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL28904690 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL11875421 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL49870 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA | |
| SCHEMBL58152 | 0.94 | MEN1 (0.61) | MEN1KMT2AMAPK1NPC1MAOA |
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 160 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118240341-A | Thermosetting resin composition and application thereof | 广东生益科技股份有限公司 | 2024-06-25 | — | — | CN | claimed |
| CN-118240342-A | Thermosetting resin composition and application thereof | 广东生益科技股份有限公司 | 2024-06-25 | — | — | CN | claimed |
| CN-114507176-B | Modified maleimide compound, and preparation method and application thereof | 广东生益科技股份有限公司 | 2024-05-24 | — | — | CN | claimed |
| CN-114479012-B | Double-end cyano active ester, thermosetting resin composition, and preparation method and application thereof | 广东生益科技股份有限公司 | 2023-08-15 | — | — | CN | claimed |
| CN-114478850-B | Maleimide modified active ester and preparation method and application thereof | 广东生益科技股份有限公司 | 2023-08-15 | — | — | CN | claimed |
| CN-116496199-A | Modified maleimide compound and application thereof | 广东生益科技股份有限公司 | 2023-07-28 | — | — | CN | claimed |
| EP-4161995-A1 | COMPOSITION, METHOD FOR THE MANUFACTURE THEREOF, AND ARTICLES MADE THEREFROM | SHPP Global Technologies B.V. (NL) | 2023-04-12 | — | — | EP | claimed |
| CN-111960956-B | Amino-terminated active ester, preparation method thereof, thermosetting resin composition and application thereof | 广东生益科技股份有限公司 | 2022-12-30 | — | — | CN | claimed |
| CN-114507176-A | Modified maleimide compound and preparation method and application thereof | 广东生益科技股份有限公司 | 2022-05-17 | — | — | CN | claimed |
| CN-114478850-A | Maleimide modified active ester and preparation method and application thereof | 广东生益科技股份有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-114479012-A | Double-end cyano-group active ester, thermosetting resin composition, preparation method and application thereof | 广东生益科技股份有限公司 | 2022-05-13 | — | — | CN | claimed |
| EP-0309916-B1 | SOLID STATE CURING OF POLY(ARYLENE SULFIDE) RESINS IN REDUCED OXYGEN ATMOSPHERES | PHILLIPS PETROLEUM COMPANY (US) | 1993-07-21 | — | — | EP | claimed |
| US-4839411-A | HEAT TREATMENT BELOW MELTING POINT WITH CONTROLLED OXYGEN CONCENTRATION | PHILLIPS PETROLEUM COMPANY (US) | 1989-06-13 | — | — | US | claimed |
| JP-3063536-A | — | — | None | — | — | JP | disclosed |
| JP-61213263-A | — | — | None | — | — | JP | disclosed |
| JP-11000510-A | — | — | None | — | — | JP | disclosed |
| US-4020031-A | POLYTHIOETHERS, ANIONIC SURFACTANT | PHILLIPS PETROLEUM COMPANY (US) | 1977-04-26 | — | — | US | disclosed |
| US-3969307-A | Molding of poly(arylene sulfide) resins | PHILLIPS PETROLEUM COMPANY (US) | 1976-07-13 | — | — | US | disclosed |
| US-3968289-A | Poly(arylene sulfide) coating compositions containing polyoxyethylated vegetable oil | PHILLIPS PETROLEUM COMPANY (US) | 1976-07-06 | — | — | US | disclosed |
| JP-S06418421-A | — | — | 0001-01-01 | — | — | JP | disclosed |