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 | |
|---|---|---|---|---|
| ▸ | ACE known ✓ | P12821 | 1/20 | 0.68 |
| ▸ | CHRM2 known ✓ | P08172 | 1/20 | 0.65 |
| ▸ | ADRA2A known ✓ | P08913 | 1/20 | 0.65 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.65 |
| ▸ | SLC6A4 known ✓ | P31645 | 1/20 | 0.65 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.65 |
| ▸ | DRD3 known ✓ | P35462 | 1/20 | 0.65 |
| ▸ | SLC6A3 known ✓ | Q01959 | 1/20 | 0.65 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.36 |
| ▸ | SCN1A known ✓ | P35498 | 1/20 | 0.36 |
| ▸ | SCN2A known ✓ | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A known ✓ | Q9NY46 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.68 |
| ▸ | EYA2 | O00167 | 1/20 | 0.68 |
| ▸ | APP | P05067 | 1/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.65 |
| ▸ | TSHR | P16473 | 3/20 | 0.65 |
| ▸ | BLM | P54132 | 2/20 | 0.65 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.65 |
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 SCHEMBL7849425 | 1.00 | TDP1 (0.68) | TDP1EYA2APPACEALOX15 | |
| SCHEMBL80266 | 0.97 | TDP1 (0.72) | TDP1EYA2APPACEALOX15 | |
| Water SCHEMBL4638827 | 0.95 | ALOX15 (0.75) | TDP1EYA2APPACEALOX15 | |
| Water SCHEMBL19580102 | 0.95 | ALOX15 (0.75) | TDP1EYA2APPACEALOX15 | |
| Nitrilotriacetic Acid SCHEMBL6340131 | 0.94 | TDP1 (0.68) | TDP1EYA2APPACEALOX15 | |
| Magnesium SCHEMBL786544 | 0.94 | TDP1 (0.68) | TDP1EYA2APPACEALOX15 | |
| SCHEMBL10891587 | 0.94 | TDP1 (0.68) | TDP1EYA2APPACEALOX15 | |
| Magnesium SCHEMBL10888571 | 0.94 | TDP1 (0.68) | TDP1EYA2APPACEALOX15 | |
| Calcium SCHEMBL786773 | 0.94 | TDP1 (0.68) | TDP1EYA2APPACEALOX15 | |
| SCHEMBL9117036 | 0.94 | TDP1 (0.68) | TDP1EYA2APPACEALOX15 |
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-6190443-B1 | Polishing composition | FUJIMI INCORPORATED (JP) | 2001-02-20 | — | — | US | claimed |
| US-6190443-B1 | Polishing composition | FUJIMI INCORPORATED (JP) | 2001-02-20 | — | — | US | disclosed |