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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 17/20 | 0.72 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.72 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.72 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 1/20 | 0.72 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.72 |
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.72 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.72 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.72 |
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.72 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.72 |
| ▸ | OPRM1 known ✓ | P35372 | 1/20 | 0.72 |
| ▸ | OPRD1 known ✓ | P41143 | 1/20 | 0.72 |
| ▸ | HTR2B known ✓ | P41595 | 1/20 | 0.72 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.72 |
| ▸ | PDE3A known ✓ | Q14432 | 1/20 | 0.72 |
| ▸ | SCN5A known ✓ | Q14524 | 1/20 | 0.72 |
| ▸ | AGTR2 | P50052 | 11/20 | 0.72 |
| ▸ | PPARG | P37231 | 2/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.72 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.72 |
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 | |
|---|---|---|---|---|
| SCHEMBL9044757 | 0.99 | AGTR1 (0.73) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| Water SCHEMBL9044269 | 0.89 | AGTR1 (0.57) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| SCHEMBL9044766 | 0.88 | AGTR1 (0.58) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| SCHEMBL813386 | 0.88 | AGTR1 (0.73) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| SCHEMBL7303699 | 0.86 | AGTR1 (0.70) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| SCHEMBL7311394 | 0.86 | AGTR1 (0.72) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| Water SCHEMBL8871971 | 0.85 | AGTR1 (0.77) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| SCHEMBL683392 | 0.85 | AGTR1 (0.68) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| SCHEMBL7309298 | 0.85 | AGTR1 (0.69) | AGTR1AGTR2PPARGKDM4EABCC3 | |
| SCHEMBL7302973 | 0.85 | AGTR1 (0.74) | AGTR1AGTR2PPARGKDM4EABCC3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5614519-A | (1-(2,3 or 4-N-morpholinoalkyl)-imidazol-4-yl)-benizimidazol-1-yl-methyl]-biphenyls useful as angiotensin-II antagonists | KARL THOMAE GMBH (DE) | 1997-03-25 | — | — | US | disclosed |
| US-5602127-A | ADMINISTERING TO TREAT HYPERTENSION | KARL THOMAE GMBH (DE) | 1997-02-11 | — | — | US | disclosed |
| US-5594003-A | HYPOTENSIVE AGENTS | DR. KARL THOMAE GMBH (DE) | 1997-01-14 | — | — | US | disclosed |
| US-5591762-A | HYPOTENSIVE AGENTS | DR. KARL THOMAE GMBH (DE) | 1997-01-07 | — | — | US | disclosed |