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 | 0.47 |
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.44 |
| ▸ | ADRA2B known ✓ | P18089 | 2/20 | 0.44 |
| ▸ | ADRA2C known ✓ | P18825 | 2/20 | 0.44 |
| ▸ | CHRM5 known ✓ | P08912 | 1/20 | 0.43 |
| ▸ | ACHE known ✓ | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.94 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.94 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.94 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.94 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.94 |
| ▸ | TP53 | P04637 | 2/20 | 0.94 |
| ▸ | TSHR | P16473 | 5/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.65 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | GFER | P55789 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL8468934 | 0.97 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL15246 | 0.97 | ALDH1A1 (1.00) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| Hydrochloric Acid SCHEMBL971113 | 0.94 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| Ammonia Solution, Strong SCHEMBL28575167 | 0.94 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| Hydrochloric Acid SCHEMBL309541 | 0.94 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| SCHEMBL4356329 | 0.94 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| Bromide SCHEMBL2353262 | 0.94 | ALDH1A1 (0.94) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| Bromide SCHEMBL20661275 | 0.92 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| Hydrochloric Acid SCHEMBL9805647 | 0.92 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 | |
| Hydrochloric Acid SCHEMBL28273962 | 0.92 | ALDH1A1 (0.89) | ALDH1A1CYP3A4TDP1MAPK1ALOX15 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9902864-B2 | Two-coat barrier system comprising polyurethane | SUN CHEMICAL CORPORATION (US) | 2018-02-27 | — | — | US | disclosed |
| EP-2691432-B1 | A TWO-COAT BARRIER SYSTEM COMPRISING POLYURETHANE | SUN CHEMICAL BV (NL) | 2015-01-21 | — | — | EP | disclosed |
| US-20140212661-A1 | TWO-COAST BARRIER SYSTEM COMPRISING POLYURETHANE | SUN CHEMICAL CORPORATION (US) | 2014-07-31 | — | — | US | disclosed |
| EP-2691432-A2 | A TWO-COAT BARRIER SYSTEM COMPRISING POLYURETHANE | Sun Chemical B.V. (NL) | 2014-02-05 | — | — | EP | disclosed |
| WO-2012131362-A2 | A TWO-COAT BARRIER SYSTEM COMPRISING POLYURETHANE | SUN CHEMICAL B.V. (NL) | 2012-10-04 | — | — | WO | disclosed |
| US-20050084686-A1 | Gas barrier film | FUTAMURA KAGAKU KOGYO KABUSHIKI KAISHA (JP) | 2005-04-21 | — | — | US | disclosed |
| EP-1524110-A2 | Gas barrier film | Futamura Kagaku Kabushiki Kaisha (JP) | 2005-04-20 | — | — | EP | disclosed |