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 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 2/20 | 0.42 |
| ▸ | DPP4 known ✓ | P27487 | 4/20 | 0.38 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.37 |
| ▸ | DPP7 | Q9UHL4 | 7/20 | 0.42 |
| ▸ | DPP8 | Q6V1X1 | 6/20 | 0.42 |
| ▸ | DPP9 | Q86TI2 | 3/20 | 0.42 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | PLAU | P00749 | 2/20 | 0.37 |
| ▸ | PLAUR | Q03405 | 2/20 | 0.37 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.36 |
| ▸ | FAP | Q12884 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL649164 | 0.99 | DPP8 (0.43) | DPP7DPP8DPP9ACEDPP4 | |
| SCHEMBL5552493 | 0.99 | DPP8 (0.43) | DPP7DPP8DPP9ACEDPP4 | |
| SCHEMBL10883512 | 0.96 | DPP7 (0.39) | DPP7DPP8DPP9ACEDPP4 | |
| Methanesulfonamide SCHEMBL11097510 | 0.94 | DPP8 (0.39) | DPP7DPP8DPP9ACEMMP2 | |
| SCHEMBL7266941 | 0.88 | ACE (0.42) | DPP7DPP8DPP9ACEOPRK1 | |
| SCHEMBL5551908 | 0.86 | DPP8 (0.40) | DPP7DPP8DPP9ACEDPP4 | |
| SCHEMBL7318606 | 0.85 | DPP7 (0.43) | DPP7DPP8DPP9DPP4FAP | |
| SCHEMBL10887856 | 0.84 | DPP7 (0.37) | DPP7DPP8DPP9DPP4 | |
| SCHEMBL9394613 | 0.83 | ACE (0.40) | ACEDPP4 | |
| SCHEMBL11242902 | 0.82 | ACE (0.37) | ACECPB2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1679303-B1 | Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative | KANEKA CORP (JP) | 2010-09-15 | — | — | EP | disclosed |
| EP-1679303-A1 | Process for preparing 1-alkoxycarbonyl-3-phenylpropyl derivative | Kaneka Corporation (JP) | 2006-07-12 | — | — | EP | disclosed |
| EP-0903337-B1 | PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES | KANEKA CORP (JP) | 2006-04-12 | — | — | EP | disclosed |
| EP-0903337-A1 | PROCESS FOR THE PREPARATION OF 1-ALKOXYCARBONYL-3-PHENYLPROPYL DERIVATIVES | KANEKA CORPORATION (JP) | 1999-03-24 | — | — | EP | disclosed |