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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.42 |
| ▸ | GRIK1 known ✓ | P39086 | 4/20 | 0.39 |
| ▸ | GRIK2 known ✓ | Q13002 | 4/20 | 0.39 |
| ▸ | GRIA1 known ✓ | P42261 | 1/20 | 0.39 |
| ▸ | GRIA2 known ✓ | P42262 | 1/20 | 0.39 |
| ▸ | GRIA3 known ✓ | P42263 | 1/20 | 0.39 |
| ▸ | GRIA4 known ✓ | P48058 | 1/20 | 0.39 |
| ▸ | GRIN2A known ✓ | Q12879 | 1/20 | 0.39 |
| ▸ | GRIK3 known ✓ | Q13003 | 1/20 | 0.39 |
| ▸ | GRIK5 known ✓ | Q16478 | 1/20 | 0.39 |
| ▸ | SLC7A11 | Q9UPY5 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.42 |
| ▸ | KYNU | Q16719 | 2/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | GCLC | P48506 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.39 |
| ▸ | GSR | P00390 | 2/20 | 0.39 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 2/20 | 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 SCHEMBL8816682 | 1.00 | PTGS1 (0.42) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| Water SCHEMBL1157748 | 0.98 | PTGS1 (0.44) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| SCHEMBL6570277 | 0.98 | PTGS1 (0.44) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| Water SCHEMBL1157749 | 0.98 | PTGS1 (0.44) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| Hydrochloric Acid SCHEMBL5063591 | 0.95 | PTGS1 (0.42) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| SCHEMBL1395227 | 0.95 | PTGS1 (0.46) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| SCHEMBL44030 | 0.95 | PTGS1 (0.46) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| SCHEMBL30600100 | 0.95 | PTGS1 (0.46) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| SCHEMBL21518548 | 0.95 | PTGS1 (0.46) | PTGS1SLC7A11PMP22KYNUNOS2 | |
| SCHEMBL44031 | 0.95 | PTGS1 (0.46) | PTGS1SLC7A11PMP22KYNUNOS2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5663427-A | BUILDERS FOR LAUNDRY DETERGENTS | LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| WO-1997023450-A1 | CYSTEIC MONOSUCCINATE SEQUESTRANTS AND DETERGENT COMPOSITIONS CONTAINING THEM | UNILEVER PLC (GB) | 1997-07-03 | — | — | WO | disclosed |