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 | |
|---|---|---|---|---|
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.60 |
| ▸ | MAOA | P21397 | 1/20 | 0.79 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.65 |
| ▸ | CASP1 | P29466 | 1/20 | 0.65 |
| ▸ | RECQL | P46063 | 1/20 | 0.65 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.62 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.60 |
| ▸ | AXL | P30530 | 1/20 | 0.60 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.60 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.60 |
| ▸ | CA12 | O43570 | 2/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CA9 | Q16790 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | MECP2 | P51608 | 1/20 | 0.50 |
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 SCHEMBL3862803 | 1.00 | MAOA (0.79) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| SCHEMBL251095 | 0.97 | MAOA (0.83) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| SCHEMBL29403794 | 0.97 | MAOA (0.83) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| SCHEMBL30500254 | 0.97 | MAOA (0.83) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| SCHEMBL11388729 | 0.94 | MAOA (0.79) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| Methane SCHEMBL21853746 | 0.94 | MAOA (0.79) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| SCHEMBL310174 | 0.94 | MAOA (0.79) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| Ammonia Solution, Strong SCHEMBL21296174 | 0.94 | MAOA (0.79) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| SCHEMBL31131352 | 0.94 | MAOA (0.79) | MAOACYP3A4CASP1RECQLMAP4K4 | |
| SCHEMBL29402316 | 0.94 | MAOA (0.79) | MAOACYP3A4CASP1RECQLMAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2128193-B1 | POROUS POLYIMIDE | IBIDEN CO LTD (JP) | 2013-06-19 | — | — | EP | disclosed |
| US-8022110-B2 | Porous polyimide | IBIDEN CO., LTD. (JP) | 2011-09-20 | — | — | US | disclosed |
| US-20100048745-A1 | POROUS POLYIMIDE | IBIDEN CO., LTD (JP) | 2010-02-25 | — | — | US | disclosed |
| EP-2128193-A1 | POROUS POLYIMIDE | Ibiden Co., Ltd. (JP) | 2009-12-02 | — | — | EP | disclosed |
| US-20060127685-A1 | Layered polyimide/metal product | MITSUI CHEMICALS, INC. (JP) | 2006-06-15 | — | — | US | disclosed |