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 | |
|---|---|---|---|---|
| ▸ | PPARD known ✓ | Q03181 | 6/20 | 0.54 |
| ▸ | PTGS1 known ✓ | P23219 | 4/20 | 0.54 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.54 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.54 |
| ▸ | ADORA3 known ✓ | P0DMS8 | 2/20 | 0.49 |
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.46 |
| ▸ | TOP1 known ✓ | P11387 | 1/20 | 0.46 |
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.46 |
| ▸ | FLT3 known ✓ | P36888 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | F7 | P08709 | 8/20 | 0.54 |
| ▸ | F3 | P13726 | 8/20 | 0.54 |
| ▸ | PPARG | P37231 | 6/20 | 0.54 |
| ▸ | PPARA | Q07869 | 6/20 | 0.54 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.54 |
| ▸ | OXER1 | Q8TDS5 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL30746812 | 0.96 | ALDH1A1 (0.53) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL422419 | 0.91 | ALDH1A1 (0.51) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL424129 | 0.89 | ALDH1A1 (0.49) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL28353505 | 0.85 | DGKA (0.52) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL2437348 | 0.85 | DGKA (0.52) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL2437346 | 0.85 | DGKA (0.52) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL2438350 | 0.85 | DGKA (0.52) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL2438351 | 0.85 | DGKA (0.52) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL848824 | 0.85 | ALDH1A1 (0.48) | ALDH1A1F7F3PPARGPPARD | |
| SCHEMBL27848513 | 0.84 | PPARG (0.53) | ALDH1A1F7F3PPARGPPARD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050038358-A1 | Inserting catheters without thrombus formation or blood vessel damage; rigid coil and flexible smaller diameter tip; no shrinkage or expansion; remains intact during insertion and removal | NISHIYAMA CORPORATION (JP) | 2005-02-17 | — | — | US | disclosed |