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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.68 |
| ▸ | DPP4 known ✓ | P27487 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.68 |
| ▸ | BCAT2 | O15382 | 2/20 | 0.42 |
| ▸ | CDC25A | P30304 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.34 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.34 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.34 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.34 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.34 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.34 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.34 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9091629 | 0.87 | AGTR1 (0.77) | AGTR1AGTR2ALDH1A1 | |
| Water SCHEMBL9089469 | 0.87 | AGTR1 (0.63) | AGTR1AGTR2ALDH1A1PSEN1PSEN2 | |
| SCHEMBL9091837 | 0.86 | AGTR1 (0.82) | AGTR1AGTR2ALDH1A1 | |
| SCHEMBL9089027 | 0.83 | AGTR1 (0.56) | AGTR1AGTR2ALDH1A1 | |
| Water SCHEMBL9089603 | 0.82 | AGTR1 (0.61) | AGTR1AGTR2ALDH1A1 | |
| SCHEMBL9374275 | 0.81 | AGTR1 (1.00) | AGTR1AGTR2 | |
| SCHEMBL9771894 | 0.81 | AGTR1 (0.62) | AGTR1AGTR2 | |
| SCHEMBL9090985 | 0.80 | AGTR1 (0.81) | AGTR1AGTR2 | |
| Hexane SCHEMBL9090696 | 0.80 | BCAT2 (0.47) | AGTR1AGTR2BCAT2DPP4CDC25A | |
| Water SCHEMBL9091472 | 0.80 | AGTR1 (0.77) | AGTR1AGTR2ALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5571925-A | HORMONES INHIBITORS FOR HYPOTENSIVE AGENTS | ELI LILLY AND COMPANY (US) | 1996-11-05 | — | — | US | disclosed |
| US-5563278-A | Angiotensin II antagonists | ELI LILLY AND COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0438869-B1 | Improvements in and relating to angiotensin II antagonists | LILLY CO ELI (US) | 1994-12-14 | — | — | EP | disclosed |
| US-5312936-A | Hypotensive agents | ELI LILLY AND COMPANY (US) | 1994-05-17 | — | — | US | disclosed |
| US-5073566-A | Hypotensive agents | ELI LILLY AND COMPANY (US) | 1991-12-17 | — | — | US | disclosed |
| EP-0438869-A1 | Improvements in and relating to angiotensin II antagonists | ELI LILLY AND COMPANY (US) | 1991-07-31 | — | — | EP | disclosed |