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 | |
|---|---|---|---|---|
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.52 |
| ▸ | MEN1 known ✓ | O00255 | 2/20 | 0.48 |
| ▸ | KDR known ✓ | P35968 | 2/20 | 0.48 |
| ▸ | PDE4A known ✓ | P27815 | 1/20 | 0.48 |
| ▸ | PTGS2 known ✓ | P35354 | 2/20 | 0.48 |
| ▸ | ALOX5 known ✓ | P09917 | 1/20 | 0.48 |
| ▸ | PIK3CA known ✓ | P42336 | 1/20 | 0.46 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.45 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.45 |
| ▸ | SELL | P14151 | 1/20 | 0.95 |
| ▸ | SELP | P16109 | 1/20 | 0.95 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | BLVRB | P30043 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 4/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.48 |
| ▸ | CA7 | P43166 | 3/20 | 0.48 |
| ▸ | CA9 | Q16790 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL77708 | 0.97 | SELL (1.00) | SELLSELPHDAC1MEN1KDR | |
| SCHEMBL31236653 | 0.97 | SELL (1.00) | SELLSELPHDAC1MEN1KDR | |
| Hydrochloric Acid SCHEMBL23929227 | 0.95 | SELL (0.95) | SELLSELPHDAC1MEN1KDR | |
| SCHEMBL27857128 | 0.95 | SELL (0.95) | SELLSELPHDAC1MEN1KDR | |
| SCHEMBL176255 | 0.87 | SELL (0.79) | SELLSELPMEN1KDRKMT2A | |
| SCHEMBL29860525 | 0.87 | SELL (0.79) | SELLSELPMEN1KDRKMT2A | |
| SCHEMBL9328169 | 0.86 | SELL (0.70) | SELLSELPHDAC1MEN1KDR | |
| Benzoic Acid SCHEMBL28717274 | 0.85 | SELL (0.76) | SELLSELPHDAC1KMT2AALDH1A1 | |
| SCHEMBL11043522 | 0.84 | SELL (0.75) | SELLSELPMEN1KDRKMT2A | |
| SCHEMBL29250135 | 0.84 | SELL (0.75) | SELLSELPMEN1KDRKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080054520-A1 | gear which hardly peels off on a joined boundary face even where a polyamide resin-molded gear core is joined to a polyamide resin-molded gear tooth, and is excellent in dimensional accuracy. Forming a dispersion for coating the gear. | KOJI TOMODA (JP) | 2008-03-06 | — | — | US | disclosed |
| EP-0141481-B1 | METHOD OF MAKING POLYIMIDE FOAM PRECURSOR | Imi-Tech Corporation (US) | 1989-03-22 | — | — | EP | disclosed |