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 | 3/20 | 0.39 |
| ▸ | JAK2 known ✓ | O60674 | 1/20 | 0.35 |
| ▸ | ABL1 known ✓ | P00519 | 1/20 | 0.35 |
| ▸ | MET known ✓ | P08581 | 1/20 | 0.35 |
| ▸ | PDGFRB known ✓ | P09619 | 1/20 | 0.35 |
| ▸ | PARP1 known ✓ | P09874 | 1/20 | 0.35 |
| ▸ | FLT1 known ✓ | P17948 | 1/20 | 0.35 |
| ▸ | GSK3A known ✓ | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.35 |
| ▸ | JAK3 known ✓ | P52333 | 1/20 | 0.35 |
| ▸ | ACVR1 known ✓ | Q04771 | 1/20 | 0.35 |
| ▸ | BTK known ✓ | Q06187 | 1/20 | 0.35 |
| ▸ | HAVCR2 | Q8TDQ0 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.40 |
| ▸ | CDK9 | P50750 | 4/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 3/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.40 |
| ▸ | CLK1 | P49759 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1123893 | 0.80 | ALB (0.46) | DYRK1ADYRK1BDYRK2KMT2AALDH1A1 | |
| SCHEMBL9527884 | 0.80 | POLB (0.45) | MEN1KMT2AKDM4EMAPTHTT | |
| SCHEMBL10735323 | 0.79 | KDM4E (0.44) | KMT2AALDH1A1KDM4EHSD17B10MAPT | |
| SCHEMBL6913524 | 0.79 | KDM4E (0.41) | DYRK1ACDK9DYRK1BDYRK2MEN1 | |
| SCHEMBL9525735 | 0.78 | EGLN1 (0.49) | MEN1KMT2AALDH1A1MAPTPKM | |
| SCHEMBL9525092 | 0.75 | GABRG2 (0.52) | HPGDEGLN1BBOX1FTO | |
| SCHEMBL9524359 | 0.74 | MEN1 (0.49) | MEN1KMT2AALDH1A1KDM4EMAPT | |
| SCHEMBL9524579 | 0.74 | HIF1A (0.54) | MEN1KMT2AALDH1A1HSD17B10MAPT | |
| SCHEMBL31251462 | 0.73 | DHODH (0.37) | MEN1KMT2AALDH1A1KDM4EHSD17B10 | |
| SCHEMBL9525440 | 0.73 | NPC1 (0.49) | MEN1KMT2AALDH1A1KDM4EMAPT |
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-8330039-B2 | Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound | E I DU PONT DE NEMOURS AND COMPANY (US) | 2012-12-11 | — | — | US | disclosed |
| CN-102292826-A | Solar cell modules with poly(vinyl butyral) encapsulant comprising unsaturated heterocyclic compound | — | 2011-12-21 | — | — | CN | disclosed |
| EP-2380208-A1 | SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND | E. I. du Pont de Nemours and Company (US) | 2011-10-26 | — | — | EP | disclosed |
| WO-2010085664-A1 | SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-07-29 | — | — | WO | disclosed |
| US-20100180947-A1 | SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2010-07-22 | — | — | US | disclosed |