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 | |
|---|---|---|---|---|
| ▸ | HTR3E known ✓ | A5X5Y0 | 1/20 | 0.35 |
| ▸ | HTR3B known ✓ | O95264 | 1/20 | 0.35 |
| ▸ | HTR3A known ✓ | P46098 | 1/20 | 0.35 |
| ▸ | HTR3D known ✓ | Q70Z44 | 1/20 | 0.35 |
| ▸ | HTR3C known ✓ | Q8WXA8 | 1/20 | 0.35 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.34 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.33 |
| ▸ | MIF | P14174 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
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 SCHEMBL27798355 | 1.00 | MIF (0.52) | MIFCYP3A4TSHRALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL27783038 | 0.97 | CYP3A4 (0.50) | MIFCYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL245090 | 0.97 | MIF (0.55) | MIFCYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL19459346 | 0.97 | MIF (0.55) | MIFCYP3A4TSHRALDH1A1MAPK1 | |
| SCHEMBL5925 | 0.97 | — | — | |
| SCHEMBL1332539 | 0.97 | — | — | |
| Benzene SCHEMBL11510532 | 0.97 | MIF (0.55) | MIFCYP3A4TSHRALDH1A1MAPK1 | |
| Hydrogen Sulfide SCHEMBL2017797 | 0.94 | MIF (0.52) | MIFCYP3A4TSHRALDH1A1MAPK1 | |
| Methane SCHEMBL7027432 | 0.94 | MIF (0.52) | MIFCYP3A4TSHRALDH1A1MAPK1 | |
| Hydrochloric Acid SCHEMBL10809249 | 0.94 | MIF (0.52) | MIFCYP3A4TSHRALDH1A1MAPK1 |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240816-A1 | EPOXY RESIN COMPOSITION CONTAINING ISOCYANURATES FOR USE IN ELECTRICAL LAMINATES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-09-23 | — | — | US | claimed |
| EP-2207827-A1 | EPOXY RESIN COMPOSITION CONTAINING ISOCYANURATES FOR USE IN ELECTRICAL LAMINATES | Dow Global Technologies Inc. (US) | 2010-07-21 | — | — | EP | claimed |
| WO-2009055666-A1 | EPOXY RESIN COMPOSITION CONTAINING ISOCYANURATES FOR USE IN ELECTRICAL LAMINATES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2009-04-30 | — | — | WO | claimed |
| EP-2909249-B1 | CORE SHELL RUBBER MODIFIED SOLID EPOXY RESINS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2019-07-31 | — | — | EP | disclosed |
| US-9701851-B2 | Core shell rubber modified solid epoxy resins | DOW GLOBAL TECHNOLOGIES LLC (US) | 2017-07-11 | — | — | US | disclosed |
| EP-2909249-A2 | CORE SHELL RUBBER MODIFIED SOLID EPOXY RESINS | Dow Global Technologies LLC (US) | 2015-08-26 | — | — | EP | disclosed |
| US-20150225576-A1 | CORE SHELL RUBBER MODIFIED SOLID EPOXY RESINS | DOW GLOBAL TECHNOLOGIES LLC | 2015-08-13 | — | — | US | disclosed |
| WO-2014062531-A2 | CORE SHELL RUBBER MODIFIED SOLID EPOXY RESINS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2014-04-24 | — | — | WO | disclosed |
| US-20130251931-A1 | NON-SINTERING ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY APPLICATIONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-09-26 | — | — | US | disclosed |
| EP-2205653-B1 | NON-SINTERING ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY APPLICATIONS | DOW GLOBAL TECHNOLOGIES LLC (US) | 2013-04-24 | — | — | EP | disclosed |
| US-20110160327-A1 | ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY FOAM APPLICATIONS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2011-06-30 | — | — | US | disclosed |
| US-20100240816-A1 | EPOXY RESIN COMPOSITION CONTAINING ISOCYANURATES FOR USE IN ELECTRICAL LAMINATES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-09-23 | — | — | US | disclosed |
| US-20100227090-A1 | NON-SINTERING ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY APPLICATIONS | DOW GLOBAL TECHNOLOGIES LLC | 2010-09-09 | — | — | US | disclosed |
| EP-2207827-A1 | EPOXY RESIN COMPOSITION CONTAINING ISOCYANURATES FOR USE IN ELECTRICAL LAMINATES | Dow Global Technologies Inc. (US) | 2010-07-21 | — | — | EP | disclosed |
| EP-2205653-A2 | NON-SINTERING ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY APPLICATIONS | Dow Global Technologies Inc. (US) | 2010-07-14 | — | — | EP | disclosed |
| EP-2193153-A1 | ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY FOAM APPLICATIONS | Dow Global Technologies Inc. (US) | 2010-06-09 | — | — | EP | disclosed |
| WO-2009058715-A2 | NON-SINTERING ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY APPLICATIONS | DOW GLOBAL TECHNOLOGY INC. (US) | 2009-05-07 | — | — | WO | disclosed |
| WO-2009055666-A1 | EPOXY RESIN COMPOSITION CONTAINING ISOCYANURATES FOR USE IN ELECTRICAL LAMINATES | DOW GLOBAL TECHNOLOGIES INC. (US) | 2009-04-30 | — | — | WO | disclosed |
| WO-2009035860-A1 | ISOCYANATE MODIFIED EPOXY RESIN FOR FUSION BONDED EPOXY FOAM APPLICATIONS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2009-03-19 | — | — | WO | disclosed |