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 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 known ✓ | P39086 | 9/20 | 0.40 |
| ▸ | GRIK2 known ✓ | Q13002 | 5/20 | 0.38 |
| ▸ | GRIA2 known ✓ | P42262 | 2/20 | 0.38 |
| ▸ | GRIA4 known ✓ | P48058 | 2/20 | 0.38 |
| ▸ | GRIK3 known ✓ | Q13003 | 2/20 | 0.38 |
| ▸ | GRIK5 known ✓ | Q16478 | 2/20 | 0.38 |
| ▸ | GRIA1 known ✓ | P42261 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 7/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 7/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 6/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 SCHEMBL7949254 | 1.00 | SLC7A5 (0.46) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL8149690 | 0.98 | SLC7A5 (0.47) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL3600281 | 0.98 | SLC7A5 (0.47) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL10618085 | 0.88 | SLC7A5 (0.39) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| Water SCHEMBL27830506 | 0.88 | GRIK1 (0.46) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL38112 | 0.86 | GRIK1 (0.47) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL38111 | 0.86 | GRIK1 (0.47) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL2024581 | 0.86 | GRIK1 (0.47) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| SCHEMBL10620089 | 0.85 | SLC7A5 (0.36) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 | |
| Methane SCHEMBL15302692 | 0.84 | GRIK1 (0.46) | SLC7A5SLC1A2SLC1A1SLC1A3GRIK1 |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1701960-A1 | CYSTEINE PROTEASE INHIBITORS | Medivir Aktiebolag (SE) | 2006-09-20 | — | — | EP | disclosed |
| WO-2005066180-A1 | CYSTEINE PROTEASE INHIBITORS | MEDIVIR AB (SE) | 2005-07-21 | — | — | WO | disclosed |
| EP-0390181-B1 | Perylenequinone (UCN-1028D) derivatives | KYOWA HAKKO KOGYO KK (JP) | 1995-05-10 | — | — | EP | disclosed |
| EP-0635479-A1 | Perylene quinones (UCN-1028 D) derivatives | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1995-01-25 | — | — | EP | disclosed |
| US-5189023-A | Hypotensive agent | AMERICAN CYANAMID COMPANY (US) | 1993-02-23 | — | — | US | disclosed |
| US-5140044-A | Antitumor and -carcinogenic agents; protein kinase C inhibitors | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1992-08-18 | — | — | US | disclosed |
| EP-0427939-A2 | Renin inhibitors | AMERICAN CYANAMID COMPANY (US) | 1991-05-22 | — | — | EP | disclosed |
| US-4670541-A | Use of diamino alcohols as analgesic agents | E. R. SQUIBB & SONS, INC. (US) | 1987-06-02 | — | — | US | disclosed |
| US-4665193-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1987-05-12 | — | — | US | disclosed |
| US-4629724-A | HYPOTENSIVE AGENTS | E. R. SQUIBB & SONS, INC. (US) | 1986-12-16 | — | — | US | disclosed |
| US-4616088-A | Amino acid ester and amide renin inhibitor | E. R. SQUIBB & SONS, INC. (US) | 1986-10-07 | — | — | US | disclosed |
| US-4596803-A | Treating myocardial infarction | NIPPON CHEMIPHAR CO., LTD. (JP) | 1986-06-24 | — | — | US | disclosed |
| EP-0181071-A2 | Amino acid ester and amide renin inhibitors | E.R. Squibb & Sons, Inc. (US) | 1986-05-14 | — | — | EP | disclosed |
| US-4552866-A | Use of diamino alcohols as analgesic agents | E. R. SQUIBB & SONS, INC. (US) | 1985-11-12 | — | — | US | disclosed |
| US-4507297-A | MYOCARDIAL INFARCTION | NIPPON CHEMIPHAR CO., LTD. (JP) | 1985-03-26 | — | — | US | disclosed |
| US-4338305-A | LUTEINIZING HORMONE RELEASING HORMONE; CONTRACEPTIVES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1982-07-06 | — | — | US | disclosed |
| US-4272432-A | Claudogenic-interceptive nonapeptide | AMERICAN HOME PRODUCTS CORPORATION (US) | 1981-06-09 | — | — | US | disclosed |