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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | GRN | P28799 | 2/20 | 0.52 |
| ▸ | SORT1 | Q99523 | 2/20 | 0.52 |
| ▸ | FOLH1 | Q04609 | 8/20 | 0.50 |
| ▸ | LAP3 | P28838 | 3/20 | 0.47 |
| ▸ | NAALAD2 | Q9Y3Q0 | 2/20 | 0.46 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.45 |
| ▸ | PLA2G5 | P39877 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL14436761 | 0.98 | ALDH1A1 (0.62) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL19083736 | 0.98 | ALDH1A1 (0.62) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL24668413 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL29539002 | 0.83 | ALDH1A1 (0.58) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL25659774 | 0.82 | ALDH1A1 (0.47) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL684796 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL684233 | 0.82 | ALDH1A1 (0.42) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL1535088 | 0.81 | ALDH1A1 (0.60) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL11740799 | 0.81 | ALDH1A1 (0.60) | ALDH1A1MEN1LMNAKMT2AMAPT | |
| SCHEMBL10223263 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MEN1LMNAKMT2AMAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0931792-B1 | Depsipeptides containing non-natural amino acids | NISSHIN SEIFUN GROUP INC (JP) | 2004-01-07 | — | — | EP | disclosed |
| US-6252041-B1 | Depsipeptides containing non-natural amino acids | NISSHIN FLOUR MILLING CO., LTD. (JP) | 2001-06-26 | — | — | US | disclosed |
| EP-0931792-A1 | Depsipeptides containing non-natural amino acids | Nisshin Flour Milling Co., Ltd. (JP) | 1999-07-28 | — | — | EP | disclosed |