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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE known ✓ | P22303 | 6/20 | 0.37 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.33 |
| ▸ | INMT | O95050 | 4/20 | 0.95 |
| ▸ | USP2 | O75604 | 2/20 | 0.95 |
| ▸ | NOS3 | P29474 | 3/20 | 0.34 |
| ▸ | NOS1 | P29475 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2401189 | 0.98 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL3047 | 0.98 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL17417853 | 0.98 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL6853620 | 0.98 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL2734323 | 0.98 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL16583523 | 0.98 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| SCHEMBL10601682 | 0.98 | INMT (1.00) | INMTUSP2ACHENOS3NOS1 | |
| Iodide SCHEMBL23365018 | 0.95 | INMT (0.95) | INMTUSP2ACHENOS3NOS1 | |
| Ammonia Solution, Strong SCHEMBL6834929 | 0.95 | INMT (0.95) | INMTUSP2ACHENOS3NOS1 | |
| Bromide SCHEMBL8469764 | 0.95 | INMT (0.95) | INMTUSP2ACHENOS3NOS1 |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2024024717-A1 | CROSSLINKABLE COMPOSITION AND MOLDED ARTICLE | ダイキン工業株式会社 | 2024-02-01 | — | — | WO | disclosed |
| WO-2024024718-A1 | CROSSLINKABLE COMPOSITION AND MOLDED ARTICLE | ダイキン工業株式会社 | 2024-02-01 | — | — | WO | disclosed |
| WO-2023195469-A1 | COMPOSITION FOR FLUORINE RUBBER CROSSLINKING AND MOLDED ARTICLE | ダイキン工業株式会社 | 2023-10-12 | — | — | WO | disclosed |
| WO-2023195471-A1 | FLUORINE-BASED RUBBER CROSSLINKING COMPOSITION AND MOLDED ARTICLE | ダイキン工業株式会社 | 2023-10-12 | — | — | WO | disclosed |
| WO-2023120097-A1 | CROSSLINKABLE COMPOSITION, MEMBER, AND USE OF CROSSLINKABLE COMPOSITION | ダイキン工業株式会社 | 2023-06-29 | — | — | WO | disclosed |
| WO-2023063388-A1 | FLUORO RUBBER CROSSLINKING COMPOSITION AND MOLDED ARTICLE | ダイキン工業株式会社 | 2023-04-20 | — | — | WO | disclosed |
| WO-2022264837-A1 | COMPOSITION FOR FLUORINE RUBBER CROSSLINKING, MOLDED PRODUCT, AND SEALING MATERIAL | ダイキン工業株式会社 | 2022-12-22 | — | — | WO | disclosed |
| WO-2022264838-A1 | FLUORINE RUBBER CROSSLINKING COMPOSITION, MOLDED ARTICLE, AND SEALING MATERIAL | ダイキン工業株式会社 | 2022-12-22 | — | — | WO | disclosed |
| WO-2022260137-A1 | METHOD FOR PRODUCING AQUEOUS DISPERSION OF FLUORINE-CONTAINING ELASTOMER | ダイキン工業株式会社 | 2022-12-15 | — | — | WO | disclosed |
| WO-2022260138-A1 | PRODUCTION METHOD FOR AQUEOUS FLUORINE-CONTAINING ELASTOMER DISPERSION, FLUORINE-CONTAINING ELASTOMER, AND COMPOSITION | ダイキン工業株式会社 | 2022-12-15 | — | — | WO | disclosed |
| WO-2022260139-A1 | PRODUCTION METHOD FOR AQUEOUS FLUORINE-CONTAINING ELASTOMER DISPERSION, COMPOSITION, AND AQUEOUS DISPERSION | ダイキン工業株式会社 | 2022-12-15 | — | — | WO | disclosed |
| WO-2022220018-A1 | COMPOSITION FOR FLUORINE RUBBER CROSSLINKING, MOLDED PRODUCT, AND SEALING MEMBER | ダイキン工業株式会社 | 2022-10-20 | — | — | WO | disclosed |
| WO-2022210042-A1 | COMPOSITION FOR FLUORINE RUBBER CROSSLINKING, MOLDED PRODUCT, AND SEALING MEMBER | ダイキン工業株式会社 | 2022-10-06 | — | — | WO | disclosed |
| WO-2022210040-A1 | COMPOSITION FOR FLUORINE RUBBER CROSSLINKING, MOLDED ARTICLE, AND SEALING MEMBER | ダイキン工業株式会社 | 2022-10-06 | — | — | WO | disclosed |
| WO-2022210041-A1 | COMPOSITION FOR FLUORINE RUBBER CROSSLINKING, MOLDED PRODUCT, AND SEALING MATERIAL | ダイキン工業株式会社 | 2022-10-06 | — | — | WO | disclosed |
| WO-2022210044-A1 | COMPOSITION FOR FLUORINE RUBBER CROSSLINKING AND MOLDED ARTICLE | ダイキン工業株式会社 | 2022-10-06 | — | — | WO | disclosed |
| EP-1130057-B1 | CROSSLINKABLE ELASTIC COPOLYMER COMPOSITION | ASAHI GLASS CO LTD (JP) | 2004-03-24 | — | — | EP | disclosed |
| US-20030065067-A1 | Crosslinkable elastic copolymer composition | ASAHI GLASS COMPANY LIMITED (JP) | 2003-04-03 | — | — | US | disclosed |
| US-6437028-B1 | Crosslinkable elastic copolymer composition | ASAHI GLASS COMPANY, LIMITED (JP) | 2002-08-20 | — | — | US | disclosed |
| EP-1130057-A1 | CROSSLINKABLE ELASTIC COPOLYMER COMPOSITION | ASAHI GLASS COMPANY LTD. (JP) | 2001-09-05 | — | — | EP | disclosed |