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 | 2/20 | 0.47 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.47 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.47 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.92 |
| ▸ | LMNA | P02545 | 2/20 | 0.92 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.69 |
| ▸ | KIF11 | P52732 | 2/20 | 0.55 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.53 |
| ▸ | NOS1 | P29475 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.52 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.52 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.52 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | QDPR | P09417 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
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 SCHEMBL28315294 | 1.00 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| Water SCHEMBL1648462 | 1.00 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| Water SCHEMBL11112402 | 1.00 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| SCHEMBL9728 | 0.96 | MAPT (1.00) | MAPTLMNANOTUMKIF11DDAH1 | |
| SCHEMBL10000032 | 0.92 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| Hydrochloric Acid SCHEMBL3930145 | 0.92 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| Hydrogen Sulfide SCHEMBL3929756 | 0.92 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| Hydrochloric Acid SCHEMBL5548691 | 0.92 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| SCHEMBL135626 | 0.92 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 | |
| SCHEMBL9120813 | 0.92 | MAPT (0.92) | MAPTLMNANOTUMKIF11DDAH1 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107266506-B | Cobalt nitrouracil supramolecular compound and preparation method thereof | 宁波大学 | 2020-05-15 | — | — | CN | claimed |
| CN-107325294-B | Nickel compound with porous two-dimensional layered structure and preparation method thereof | 宁波大学 | 2020-02-18 | — | — | CN | claimed |
| CN-107266506-B | Cobalt nitrouracil supramolecular compound and preparation method thereof | 宁波大学 | 2020-05-15 | — | — | CN | disclosed |
| CN-107325294-B | Nickel compound with porous two-dimensional layered structure and preparation method thereof | 宁波大学 | 2020-02-18 | — | — | CN | disclosed |
| US-5386008-A | Epoxy resins | THE DOW CHEMICAL COMPANY (US) | 1995-01-31 | — | — | US | disclosed |
| US-5244998-A | Flexible coatings | THE DOW CHEMICAL COMPANY (US) | 1993-09-14 | — | — | US | disclosed |
| US-5147905-A | Cationic polyepoxide and epoxy resins for electrodeposition; flexibility; workability | THE DOW CHEMICAL COMPANY (US) | 1992-09-15 | — | — | US | disclosed |
| EP-0483352-A1 | ADVANCED AND UNADVANCED EPOXY RESIN COMPOSITIONS, NUCLEOPHILIC DERIVATIVES THEREOF AND CURABLE AND COATING COMPOSITIONS THEREOF | THE DOW CHEMICAL COMPANY (US) | 1992-05-06 | — | — | EP | disclosed |
| WO-1991018034-A1 | ADVANCED AND UNADVANCED COMPOSITIONS, NUCLEOPHILIC DERIVATIVES THEREOF AND CURABLE AND COATING COMPOSITIONS THEREOF | THE DOW CHEMICAL COMPANY (US) | 1991-11-28 | — | — | WO | disclosed |
| US-5021471-A | Polyepoxides and epoxy resins modified by a pyridine compound and acid; solvent- and water-systems; coatings, molding materials and castings; chemical resistance; flexibility | THE DOW CHEMICAL COMPANY (US) | 1991-06-04 | — | — | US | disclosed |
| US-4427511-A | Photo-induced electron transfer method | REGENTS OF THE UNIVERSITY OF CALIFORNIA THE, A CORP. OF CA | 1984-01-24 | — | — | US | disclosed |