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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.46 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 2/20 | 0.51 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | PGR | P06401 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | OGG1 | O15527 | 1/20 | 0.43 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.41 |
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 SCHEMBL29475620 | 1.00 | BTN3A1 (0.51) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| SCHEMBL29370194 | 0.98 | BTN3A1 (0.52) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| SCHEMBL8883201 | 0.98 | BTN3A1 (0.52) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| Water SCHEMBL12002468 | 0.87 | BTN3A1 (0.51) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| SCHEMBL728493 | 0.85 | BTN3A1 (0.52) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| SCHEMBL29769247 | 0.85 | BTN3A1 (0.52) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| SCHEMBL8657077 | 0.84 | BTN3A1 (0.51) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| SCHEMBL9318274 | 0.84 | BTN3A1 (0.51) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| Silver SCHEMBL11322824 | 0.84 | BTN3A1 (0.51) | BTN3A1GPR84ALDH1A1HSD17B10PGR | |
| SCHEMBL2963442 | 0.84 | BTN3A1 (0.51) | BTN3A1GPR84ALDH1A1HSD17B10PGR |
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 |
|---|---|---|---|---|---|---|---|
| CN-112930383-A | Composition, film, laminated structure, light-emitting device, and display | 住友化学株式会社 | 2021-06-08 | — | — | CN | disclosed |
| CN-112912462-A | Particle, composition, film, laminated structure, light-emitting device, and display | 住友化学株式会社 | 2021-06-04 | — | — | CN | disclosed |
| CN-112912464-A | Composition, film, laminated structure, light-emitting device, and display | 住友化学株式会社 | 2021-06-04 | — | — | CN | disclosed |
| CN-112912444-A | Composition, film, laminated structure, light-emitting device, and display | 住友化学株式会社 | 2021-06-04 | — | — | CN | disclosed |
| CN-112888763-A | Particle, composition, film, laminated structure, light-emitting device, and display | 住友化学株式会社 | 2021-06-01 | — | — | CN | disclosed |
| CN-111655818-A | Composition, film, laminate structure, light-emitting device, and display | 住友化学株式会社 | 2020-09-11 | — | — | CN | disclosed |
| WO-2020085361-A1 | PARTICLES, COMPOSITION, FILM, LAYERED STRUCTURE, LIGHT-EMITTING DEVICE, AND DISPLAY | 住友化学株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2020085363-A1 | COMPOSITION, FILM, LAMINATE STRUCTURE, LIGHT-EMITTING DEVICE, AND DISPLAY | 住友化学株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2020085513-A1 | PARTICLE, COMPOSITION, FILM, LAMINATED STRUCTURE, LIGHT-EMITTING DEVICE, AND DISPLAY | 住友化学株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2020085514-A1 | COMPOSITION, FILM, LAMINATE STRUCTURE, LIGHT-EMITTING DEVICE, AND DISPLAY | 住友化学株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2020085516-A1 | COMPOSITION, FILM, LAMINATED STRUCTURE, LIGHT-EMITTING DEVICE, AND DISPLAY | 住友化学株式会社 | 2020-04-30 | — | — | WO | disclosed |
| WO-2012145398-A1 | DIAGNOSTIC TEST FOR SCHISTOSOMA HAEMATOBIUM | EASTERN VIRGINIA MEDICAL SCHOOL (US) | 2012-10-26 | — | — | WO | disclosed |