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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.32 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.32 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.32 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 4/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.32 |
| ▸ | LDHA | P00338 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | FAHD1 | Q6P587 | 1/20 | 0.30 |
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 SCHEMBL6546245 | 1.00 | CA4 (0.52) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL5273801 | 1.00 | CA4 (0.52) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL976875 | 0.97 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL1133745 | 0.97 | CA4 (0.48) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL9656600 | 0.97 | CA4 (0.55) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL8605883 | 0.94 | CA4 (0.46) | CA4CASP1 | |
| Water SCHEMBL11324780 | 0.94 | CA4 (0.46) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL11047081 | 0.94 | CA4 (0.46) | CA4CASP1FFAR3HDAC3HDAC1 | |
| Water SCHEMBL333821 | 0.94 | CA4 (0.46) | CA4CASP1FFAR3HDAC3HDAC1 | |
| SCHEMBL1389538 | 0.94 | CA4 (0.50) | CA4CASP1FFAR3HDAC3HDAC1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11742487-B2 | Binder composition for non-aqueous secondary battery positive electrode, composition for non-aqueous secondary battery positive electrode, positive electrode for non-aqueous secondary battery, and non-aqueous secondary battery | ZEON CORPORATION (JP) | 2023-08-29 | — | — | US | disclosed |
| EP-3605675-B1 | BINDER COMPOSITION FOR NON-AQUEOUS SECONDARY BATTERY POSITIVE ELECTRODE, COMPOSITION FOR NON-AQUEOUS SECONDARY BATTERY POSITIVE ELECTRODE, POSITIVE ELECTRODE FOR NON-AQUEOUS SECONDARY BATTERY, AND NON-AQUEOUS SECONDARY BATTERY | ZEON CORP (JP) | 2022-07-06 | — | — | EP | disclosed |
| US-20200127291-A1 | BINDER COMPOSITION FOR NON-AQUEOUS SECONDARY BATTERY POSITIVE ELECTRODE, COMPOSITION FOR NON-AQUEOUS SECONDARY BATTERY POSITIVE ELECTRODE, POSITIVE ELECTRODE FOR NON-AQUEOUS SECONDARY BATTERY, AND NON-AQUEOUS SECONDARY BATTERY | ZEON CORPORATION (JP) | 2020-04-23 | — | — | US | disclosed |
| EP-3605675-A1 | BINDER COMPOSITION FOR NONAQUEOUS SECONDARY BATTERY POSITIVE ELECTRODES, COMPOSITION FOR NONAQUEOUS SECONDARY BATTERY POSITIVE ELECTRODES, POSITIVE ELECTRODE FOR NONAQUEOUS SECONDARY BATTERIES, AND NONAQUEOUS SECONDARY BATTERY | Zeon Corporation (JP) | 2020-02-05 | — | — | EP | disclosed |
| EP-0814373-B1 | Silver halide photographic material and image-forming process | ORIENTAL PHOTO IND CO LTD (JP) | 2000-11-15 | — | — | EP | disclosed |
| EP-0814373-A2 | Silver halide photographic material and image-forming process | ORIENTAL PHOTO INDUSTRIAL CO., LTD. (JP) | 1997-12-29 | — | — | EP | disclosed |