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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.42 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.42 |
| ▸ | AGTR2 | P50052 | 2/20 | 0.48 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
| ▸ | BRS3 | P32247 | 6/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
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 SCHEMBL9023803 | 1.00 | AGTR2 (0.48) | AGTR2BDKRB1LTB4R2BRS3AGTR1 | |
| SCHEMBL9024952 | 0.99 | AGTR2 (0.48) | AGTR2BDKRB1LTB4R2BRS3AGTR1 | |
| SCHEMBL9024448 | 0.91 | AGTR2 (0.52) | AGTR2BDKRB1LTB4R2AGTR1PTGS2 | |
| SCHEMBL9024959 | 0.85 | PTGS2 (0.41) | PTGS2 | |
| SCHEMBL9024615 | 0.81 | BDKRB1 (0.52) | BDKRB1PTGS2 | |
| SCHEMBL9024837 | 0.79 | AGTR2 (0.60) | AGTR2BDKRB1LTB4R2AGTR1PTGS2 | |
| SCHEMBL9024194 | 0.77 | PTGS2 (0.37) | AGTR2AGTR1PTGS2 | |
| SCHEMBL9025445 | 0.77 | PTGS2 (0.37) | AGTR2AGTR1PTGS2 | |
| SCHEMBL9024454 | 0.77 | PTGS2 (0.49) | PTGS2 | |
| SCHEMBL9024187 | 0.76 | PTGS2 (0.37) | AGTR2AGTR1PTGS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0611368-B1 | SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS | AMERICAN HOME PROD (US) | 1996-02-07 | — | — | EP | disclosed |
| US-5336677-A | ANTAGONIST OF ANGIOTENSIN II | AMERICAN HOME PRODUCTS CORPORATION (US) | 1994-08-09 | — | — | US | disclosed |