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 | |
|---|---|---|---|---|
| ▸ | ADORA2B known ✓ | P29275 | 6/20 | 0.41 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 4/20 | 0.41 |
| ▸ | ADORA1 known ✓ | P30542 | 1/20 | 0.41 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.39 |
| ▸ | ADORA2A known ✓ | P29274 | 1/20 | 0.39 |
| ▸ | PDE4B known ✓ | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C known ✓ | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D known ✓ | Q08499 | 1/20 | 0.39 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11170785 | 0.99 | KDM4E (0.43) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Lithium Ion SCHEMBL11164279 | 0.96 | KDM4E (0.43) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Potassium Ion SCHEMBL10961551 | 0.96 | KDM4E (0.43) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Water SCHEMBL10963375 | 0.78 | KDM4E (0.45) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL11170798 | 0.77 | KDM4E (0.46) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Water SCHEMBL10965608 | 0.76 | MAPT (0.49) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL11163716 | 0.74 | MAPT (0.50) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Lithium Ion SCHEMBL11164273 | 0.74 | KDM4E (0.46) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| Potassium Ion SCHEMBL10961555 | 0.74 | KDM4E (0.46) | KDM4EHSD17B10ALDH1A1HPGDGAA | |
| SCHEMBL10964934 | 0.74 | ALDH1A1 (0.49) | KDM4EHSD17B10ALDH1A1HPGDGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0052341-B1 | OROTIC ACID DERIVATIVES AND THEIR USE AS AGRICULTURAL CHEMICALS | UBE INDUSTRIES, LTD. (JP) | 1985-05-29 | — | — | EP | disclosed |
| US-4400508-A | AGRICULTURE; PLANT DISEASES; ANTISEPTICS | UBE INDUSTRIES, LTD. (JP) | 1983-08-23 | — | — | US | disclosed |
| EP-0052341-A1 | Orotic acid derivatives and their use as agricultural chemicals | UBE INDUSTRIES, LTD. (JP) | 1982-05-26 | — | — | EP | disclosed |