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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNK9 known ✓ | Q9NPC2 | 1/20 | 0.57 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.53 |
| ▸ | CES2 | O00748 | 8/20 | 0.62 |
| ▸ | CES1 | P23141 | 7/20 | 0.62 |
| ▸ | MAPT | P10636 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TNF | P01375 | 1/20 | 0.54 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.54 |
| ▸ | NOD1 | Q9Y239 | 1/20 | 0.54 |
| ▸ | RARB | P10826 | 1/20 | 0.52 |
| ▸ | RARG | P13631 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | ESRRG | P62508 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL14947050 | 0.98 | CES2 (0.65) | CES2CES1MAPTTDP1L3MBTL1 | |
| SCHEMBL2853873 | 0.89 | HDAC1 (0.64) | CES2CES1MAPTTDP1SRD5A2 | |
| SCHEMBL4190159 | 0.86 | KCNK9 (0.56) | CES2CES1MAPTTDP1L3MBTL1 | |
| Ether SCHEMBL8945933 | 0.86 | MAPT (0.53) | CES2CES1MAPTTDP1L3MBTL1 | |
| SCHEMBL195282 | 0.85 | SRD5A2 (0.77) | MAPTTDP1L3MBTL1KCNK9SRD5A2 | |
| Benzoic Acid SCHEMBL9155688 | 0.85 | SRD5A2 (0.77) | CES2CES1MAPTTDP1L3MBTL1 | |
| Benzoic Acid SCHEMBL11549239 | 0.83 | SRD5A2 (0.74) | CES2CES1MAPTTDP1L3MBTL1 | |
| SCHEMBL4164594 | 0.83 | SRD5A2 (0.61) | CES2CES1MAPTTDP1L3MBTL1 | |
| SCHEMBL4603483 | 0.82 | CES2 (0.60) | CES2CES1MAPTTDP1L3MBTL1 | |
| SCHEMBL25475978 | 0.80 | L3MBTL1 (0.53) | MAPTTDP1L3MBTL1KCNK9SRD5A2 |
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-5580702-A | COMPRISING A PHOTOSENSITIVE ACID-GENERATING COMPOUND AND A COPOLYMER OF P-HYDROXYSTYRENE AND AN ESTER OF P-CARBOXYMETHOXYSTYRENE; NONTOXIC; STEEP WALLS; HIGH SPEED; SEMICONDUCTORS | KABUSHIKI KAISHA TOSHIBA (JP) | 1996-12-03 | — | — | US | disclosed |
| US-5403695-A | Photolithography; high resolution; semiconductors | KABUSHIKI KAISHA TOSHIBA (JP) | 1995-04-04 | — | — | US | disclosed |