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 | 1/20 | 0.33 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.33 |
| ▸ | PGAM1 | P18669 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | KDM4A | O75164 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | NSD2 | O96028 | 1/20 | 0.36 |
| ▸ | ALPL | P05186 | 1/20 | 0.36 |
| ▸ | PLCG1 | P19174 | 1/20 | 0.36 |
| ▸ | TNNI3 | P19429 | 1/20 | 0.36 |
| ▸ | TNNT2 | P45379 | 1/20 | 0.36 |
| ▸ | MMP14 | P50281 | 1/20 | 0.36 |
| ▸ | CASP6 | P55212 | 1/20 | 0.36 |
| ▸ | TNNC1 | P63316 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | TTR | P02766 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL2592300 | 0.96 | PGAM1 (0.44) | PGAM1NFKB1L3MBTL1KDM4AUSP2 | |
| SCHEMBL8145542 | 0.95 | PGAM1 (0.42) | PGAM1NFKB1L3MBTL1KDM4AUSP2 | |
| SCHEMBL2593808 | 0.83 | PGAM1 (0.40) | PGAM1NFKB1L3MBTL1KDM4AUSP2 | |
| SCHEMBL458284 | 0.79 | SMN1; SMN2 (0.48) | PGAM1NFKB1L3MBTL1KDM4AUSP2 | |
| SCHEMBL28837581 | 0.77 | SMN1; SMN2 (0.46) | PGAM1NFKB1L3MBTL1KDM4AUSP2 | |
| Phosphine SCHEMBL2593813 | 0.76 | PGAM1 (0.41) | PGAM1NFKB1L3MBTL1KDM4AUSP2 | |
| SCHEMBL24631331 | 0.75 | TTR (0.47) | PGAM1TTRALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL845825 | 0.75 | TSHR (0.44) | PGAM1L3MBTL1NSD2CASP6TTR | |
| SCHEMBL31021957 | 0.75 | TSHR (0.44) | PGAM1L3MBTL1NSD2CASP6TTR | |
| SCHEMBL9763220 | 0.74 | MAPT (0.52) | PGAM1NFKB1L3MBTL1KDM4AUSP2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100133489-A1 | Photoinduced phase separation of gold in two-component nanoparticles to form nanoprisms | NORTHWESTERN UNIVERSITY (US) | 2010-06-03 | — | — | US | disclosed |
| EP-1993758-A2 | PHOTOINDUCED PHASE SEPARATION OF GOLD IN TWO-COMPONENT NANOPARTICLES TO FORM NANOPRISMS | Northwestern University (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007103536-A2 | PHOTOINDUCED PHASE SEPARATION OF GOLD IN TWO-COMPONENT NANOPARTICLES TO FORM NANOPRISMS | NORTHWESTERN UNIVERSITY (US) | 2007-09-13 | — | — | WO | disclosed |