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 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | MGLL | Q99685 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALKBH5 | Q6P6C2 | 1/20 | 0.41 |
| ▸ | SUCNR1 | Q9BXA5 | 1/20 | 0.41 |
| ▸ | PRKCA | P17252 | 3/20 | 0.41 |
| ▸ | PRKCE | Q02156 | 2/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.41 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.41 |
| ▸ | KDM6B | O15054 | 1/20 | 0.40 |
| ▸ | KDM5C | P41229 | 1/20 | 0.40 |
| ▸ | PHF8 | Q9UPP1 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL542358 | 0.98 | MAPT (0.53) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| SCHEMBL13901278 | 0.88 | MAPT (0.61) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| SCHEMBL2044547 | 0.85 | MAPT (0.47) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| SCHEMBL270753 | 0.84 | MAPT (0.66) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| SCHEMBL5026886 | 0.84 | PRKCA (0.60) | MAPTMAPK1ALDH1A1LMNAPRKCA | |
| SCHEMBL270081 | 0.83 | MAPT (0.69) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| SCHEMBL1495259 | 0.83 | MAPT (0.69) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| SCHEMBL1906243 | 0.83 | MAPT (0.69) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| Succinic Acid SCHEMBL7186929 | 0.81 | LMNA (0.45) | MAPTMAPK1MGLLFAAHALDH1A1 | |
| SCHEMBL23693964 | 0.81 | PHF8 (0.46) | MAPTMAPK1MGLLFAAHALDH1A1 |
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-5179201-A | Etherification of alkyl glucosides; phosphate-free detergents | BASF AKTIENGESELLSCHAFT (DE) | 1993-01-12 | — | — | US | disclosed |