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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 2/20 | 0.51 |
| ▸ | ESR2 known ✓ | Q92731 | 2/20 | 0.51 |
| ▸ | CACNA1G known ✓ | O43497 | 2/20 | 0.51 |
| ▸ | CACNA1H known ✓ | O95180 | 2/20 | 0.51 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.46 |
| ▸ | SLC5A2 known ✓ | P31639 | 1/20 | 0.45 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.76 |
| ▸ | TYR | P14679 | 2/20 | 0.60 |
| ▸ | PTPN1 | P18031 | 5/20 | 0.57 |
| ▸ | MAOA | P21397 | 2/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.51 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.51 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.51 |
| ▸ | PDE5A | O76074 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL571650 | 0.99 | HSP90AA1 (0.77) | HSP90AA1TYRPTPN1ESR1ESR2 | |
| SCHEMBL30266617 | 0.86 | HSP90AA1 (1.00) | HSP90AA1TYRPTPN1ESR1ESR2 | |
| SCHEMBL27013629 | 0.86 | HSP90AA1 (1.00) | HSP90AA1TYRPTPN1ESR1ESR2 | |
| SCHEMBL13360711 | 0.86 | HSP90AA1 (0.70) | HSP90AA1TYRPTPN1ESR1ESR2 | |
| SCHEMBL1546594 | 0.84 | TYR (0.81) | HSP90AA1TYRPTPN1CYP19A1IDO1 | |
| SCHEMBL30523853 | 0.83 | PTPN1 (0.81) | HSP90AA1TYRPTPN1ESR1CACNA1G | |
| SCHEMBL1999610 | 0.79 | HSP90AA1 (0.51) | HSP90AA1TYRPTPN1ESR1ESR2 | |
| SCHEMBL29876414 | 0.79 | HSP90AA1 (0.48) | HSP90AA1TYRPTPN1ESR1ESR2 | |
| SCHEMBL12866209 | 0.78 | PTPN1 (0.82) | HSP90AA1TYRPTPN1IDO1CYP3A4 | |
| SCHEMBL29516022 | 0.78 | PTPN1 (0.82) | HSP90AA1TYRPTPN1IDO1CYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10184138-B2 | Bacteria engineered for conversion of ethylene to ethanol | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2019-01-22 | — | — | US | disclosed |
| US-20170137846-A1 | BACTERIA ENGINEERED FOR CONVERSION OF ETHYLENE TO N-BUTANOL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2017-05-18 | — | — | US | disclosed |
| WO-2015191611-A1 | BACTERIA ENGINEERED FOR CONVERSION OF ETHYLENE TO N-BUTANOL | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-12-17 | — | — | WO | disclosed |
| WO-2011076689-A1 | METHOD FOR PRODUCING AN ALKENE COMPRISING THE STEP OF CONVERTING AN ALCOHOL BY AN ENZYMATIC DEHYDRATION STEP | MARLIERE PHILIPPE (FR) | 2011-06-30 | — | — | WO | disclosed |
| EP-2336340-A1 | Method for producing an alkene comprising the step of converting an alcohol by an enzymatic dehydration step | Marliere, Philippe (FR) | 2011-06-22 | — | — | EP | disclosed |