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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 3/20 | 0.52 |
| ▸ | ABCB1 | P08183 | 9/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
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 SCHEMBL51537 | 0.99 | ABCB1 (0.64) | ABCB1MAPK1LMNASMN1; SMN2HTT | |
| SCHEMBL2277722 | 0.98 | ABCB1 (0.67) | ABCB1MAPK1LMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL1702139 | 0.97 | ABCB1 (0.65) | ABCB1MAPK1LMNASMN1; SMN2HTT | |
| SCHEMBL18543110 | 0.88 | ABCB1 (0.71) | ABCB1MAPK1LMNASMN1; SMN2HTT | |
| SCHEMBL10156209 | 0.86 | ABCB1 (0.62) | ABCB1MAPK1LMNA | |
| Hydrochloric Acid SCHEMBL9618935 | 0.85 | LMNA (0.54) | ABCB1MAPK1LMNASMN1; SMN2HTT | |
| SCHEMBL4197347 | 0.85 | ABCB1 (0.68) | ABCB1MAPK1LMNASMN1; SMN2HTT | |
| Hydrochloric Acid SCHEMBL9619106 | 0.85 | ABCB1 (0.61) | ABCB1MAPK1LMNA | |
| SCHEMBL2384639 | 0.83 | ABCB1 (0.66) | ABCB1MAPK1LMNASMN1; SMN2HTT | |
| SCHEMBL31098144 | 0.83 | ABCB1 (0.66) | ABCB1MAPK1LMNASMN1; SMN2HTT |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0740691-B1 | PHOTOCURABLE FILM-FORMING ACRYLIC LATICES | ATOCHEM ELF SA (FR) | 1998-07-15 | — | — | EP | claimed |
| EP-0740691-A1 | PHOTOCURABLE FILM-FORMING ACRYLIC LATICES | ELF ATOCHEM S.A. (FR) | 1996-11-06 | — | — | EP | claimed |
| WO-1995020016-A1 | PHOTOCURABLE FILM-FORMING ACRYLIC LATICES | ELF ATOCHEM S.A. (FR) | 1995-07-27 | — | — | WO | claimed |
| EP-2912075-B1 | CATIONICALLY CROSS-LINKABLE/POLYMERISABLE COMPOSITION COMPRISING AN IODONIUM BORATE AND RELEASING AN ACCEPTABLE ODOUR | BLUESTAR SILICONES FRANCE (FR) | 2016-12-14 | — | — | EP | disclosed |
| EP-2904021-B1 | CATIONICALLY CROSS-LINKABLE/POLYMERIZABLE ORGANIC RESIN COMPOSITION COMPRISING AN IODONIUM BORATE AND HAVING AN ACCEPTABLE SMELL | BLUESTAR SILICONES FRANCE (FR) | 2016-12-07 | — | — | EP | disclosed |
| EP-2912075-A1 | CATIONICALLY CROSS-LINKABLE/POLYMERISABLE COMPOSITION COMPRISING AN IODONIUM BORATE AND RELEASING AN ACCEPTABLE ODOUR | Bluestar Silicones France SAS (FR) | 2015-09-02 | — | — | EP | disclosed |
| EP-2904021-A1 | CATIONICALLY CROSS-LINKABLE/POLYMERIZABLE ORGANIC RESIN COMPOSITION COMPRISING AN IODONIUM BORATE AND HAVING AN ACCEPTABLE SMELL | Bluestar Silicones France SAS (FR) | 2015-08-12 | — | — | EP | disclosed |
| WO-2014053714-A1 | CATIONICALLY CROSS-LINKABLE/POLYMERISABLE COMPOSITION COMPRISING AN IODONIUM BORATE AND RELEASING AN ACCEPTABLE ODOUR | BLUESTAR SILICONES FRANCE SAS (FR) | 2014-04-10 | — | — | WO | disclosed |
| WO-2014053231-A1 | CATIONICALLY CROSS-LINKABLE/POLYMERIZABLE ORGANIC RESIN COMPOSITION COMPRISING AN IODONIUM BORATE AND HAVING AN ACCEPTABLE SMELL | BLUESTAR SILICONES FRANCE SAS (FR) | 2014-04-10 | — | — | WO | disclosed |
| EP-0740691-B1 | PHOTOCURABLE FILM-FORMING ACRYLIC LATICES | ATOCHEM ELF SA (FR) | 1998-07-15 | — | — | EP | disclosed |
| EP-0740691-A1 | PHOTOCURABLE FILM-FORMING ACRYLIC LATICES | ELF ATOCHEM S.A. (FR) | 1996-11-06 | — | — | EP | disclosed |
| WO-1995020016-A1 | PHOTOCURABLE FILM-FORMING ACRYLIC LATICES | ELF ATOCHEM S.A. (FR) | 1995-07-27 | — | — | WO | disclosed |