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 | |
|---|---|---|---|---|
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.64 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.64 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.64 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.64 |
| ▸ | ADORA2B known ✓ | P29275 | 1/20 | 0.64 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.64 |
| ▸ | AMD1 | P17707 | 3/20 | 0.76 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.71 |
| ▸ | DOT1L | Q8TEK3 | 3/20 | 0.69 |
| ▸ | PRMT1 | Q99873 | 9/20 | 0.69 |
| ▸ | CARM1 | Q86X55 | 4/20 | 0.69 |
| ▸ | PRMT7 | Q9NVM4 | 1/20 | 0.65 |
| ▸ | DNMT3B | Q9UBC3 | 1/20 | 0.65 |
| ▸ | SLC28A1 | O00337 | 1/20 | 0.64 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.64 |
| ▸ | SLC28A2 | O43868 | 1/20 | 0.64 |
| ▸ | GAPDH | P04406 | 1/20 | 0.64 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.64 |
| ▸ | STAT6 | P42226 | 1/20 | 0.64 |
| ▸ | PI4KA | P42356 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL995958 | 0.99 | AMD1 (0.77) | AMD1EZH2DOT1LPRMT1CARM1 | |
| Sulfuric Acid SCHEMBL955704 | 0.94 | AMD1 (0.81) | AMD1EZH2DOT1LPRMT1CARM1 | |
| Sulfuric Acid SCHEMBL955710 | 0.94 | AMD1 (0.81) | AMD1EZH2DOT1LPRMT1CARM1 | |
| Water SCHEMBL10665695 | 0.94 | AMD1 (0.79) | AMD1EZH2DOT1LPRMT1CARM1 | |
| SCHEMBL954273 | 0.93 | AMD1 (0.80) | AMD1EZH2DOT1LPRMT1CARM1 | |
| SCHEMBL954272 | 0.93 | AMD1 (0.80) | AMD1EZH2DOT1LPRMT1CARM1 | |
| SCHEMBL19111327 | 0.89 | AMD1 (0.80) | AMD1EZH2DOT1LDPP4MEN1 | |
| SCHEMBL13986400 | 0.89 | AMD1 (0.80) | AMD1EZH2DOT1LDPP4MEN1 | |
| SCHEMBL15012484 | 0.89 | AMD1 (0.73) | AMD1EZH2DOT1LPRMT1DPP4 | |
| SCHEMBL952218 | 0.89 | AMD1 (0.73) | AMD1EZH2DOT1LPRMT1DPP4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4794174-A | ENZYME INHIBITORS | SOUTHERN RESEARCH INSTITUTE (US) | 1988-12-27 | — | — | US | disclosed |