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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2A known ✓ | Q12879 | 3/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 8/20 | 0.35 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | OXTR | P30559 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6678095 | 0.99 | GRIN1 (0.36) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL563164 | 0.83 | OXTR (0.39) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL7676516 | 0.76 | OXTR (0.39) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL7682679 | 0.76 | OXTR (0.39) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL7679942 | 0.74 | HTT (0.37) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL7810378 | 0.57 | GRIN1 (0.69) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL8904175 | 0.55 | GRIN2D (1.00) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL8491050 | 0.54 | GRIN1 (0.40) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B | |
| SCHEMBL7675071 | 0.53 | MEN1 (0.32) | — | |
| SCHEMBL7676242 | 0.53 | GRIN1 (0.39) | GRIN1GRIN2DGRIN3BGRIN2AGRIN2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0973766-B1 | QUINOXALINEDIONES | PFIZER LTD (GB) | 2004-11-17 | — | — | EP | disclosed |
| US-6333326-B1 | FOR THERAPY OF NEURODEGENERATIVE DISEASES SELECTED FROM STROKE, TRANSIENT ISCHEMIC ATTACK, PERI-OPERATIVE ISCHAEMIA, GLOBAL ISCHAEMIA FOLLOWING CARDIAC ARREST, AND TRAUMATIC HEAD INJURY TO BRAIN OR SPINAL CORD, EPILEPSY | PFIZER INC | 2001-12-25 | — | — | US | disclosed |
| EP-0973766-A1 | QUINOXALINEDIONES | Pfizer Limited (GB) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998038186-A1 | QUINOXALINEDIONES | PFIZER LIMITED (GB) | 1998-09-03 | — | — | WO | disclosed |