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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 SCHEMBL1535861 | 1.00 | — | — | |
| Water SCHEMBL15608445 | 1.00 | LMNA (0.38) | LMNATSHRTDP1 | |
| Water SCHEMBL7953374 | 1.00 | — | — | |
| Water SCHEMBL3458980 | 1.00 | LMNA (0.38) | LMNATSHRTDP1 | |
| Water SCHEMBL896460 | 0.94 | — | — | |
| SCHEMBL25487 | 0.93 | — | — | |
| SCHEMBL3629581 | 0.93 | LMNA (0.43) | LMNATSHRTDP1 | |
| SCHEMBL633724 | 0.93 | LMNA (0.43) | LMNATSHRTDP1 | |
| Ammonia Solution, Strong SCHEMBL2406408 | 0.86 | LMNA (0.38) | LMNATSHRTDP1 | |
| SCHEMBL7266668 | 0.86 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4788194-A | CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-11-29 | — | — | US | disclosed |
| US-4716164-A | CARDIOTONIC, HYPOTENSIVE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-12-29 | — | — | US | disclosed |
| US-4694005-A | CARDIOTONIC, HYPOTENSIVE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-09-15 | — | — | US | disclosed |
| US-4683232-A | N,N-DIMETHYL-P-(2,3-DIHYDRO-2-OXO-6H-1,3,4 OXADIAZIN-2-YLBENZAMIDE | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-07-28 | — | — | US | disclosed |
| US-4587246-A | CARDIOTONIC | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-05-06 | — | — | US | disclosed |
| US-4584298-A | CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-22 | — | — | US | disclosed |
| US-4558045-A | CARDIOTONIC AND HYPOTENSIVE ACTIVITY | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1985-12-10 | — | — | US | disclosed |
| EP-0052442-B1 | HETEROCYCLIC COMPOUNDS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-09-11 | — | — | EP | disclosed |
| US-4503054-A | VASODILATORS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-03-05 | — | — | US | disclosed |
| US-4495185-A | CARDIOTONIC AND/OR HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1985-01-22 | — | — | US | disclosed |
| US-4493835-A | CARDIOTONIC, HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-01-15 | — | — | US | disclosed |
| US-4489074-A | CARDIOTONIC AGENTS, HYPOTENSIVE AGENTS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1984-12-18 | — | — | US | disclosed |
| US-4489073-A | HYPOTENSIVE AND CARDIOTONIC AGENTS | IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) | 1984-12-18 | — | — | US | disclosed |
| US-4423045-A | CARDIOVASCULAR DISORDERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-12-27 | — | — | US | disclosed |
| EP-0086301-A1 | Thiadiazine, oxadiazine and triazine derivatives and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-08-24 | — | — | EP | disclosed |
| EP-0085227-A1 | Thiadiazine derivatives, and pharmaceutical compositions containing them | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-08-10 | — | — | EP | disclosed |
| EP-0080296-A1 | Pharmaceutically active phenyl-thia-, oxa- or triazinones | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-06-01 | — | — | EP | disclosed |
| EP-0052442-A1 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1982-05-26 | — | — | EP | disclosed |