Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Alloxan. 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 | |
|---|---|---|---|---|
| ▸ | GSK3B known ✓ | P49841 | 2/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.92 |
| ▸ | OGT | O15294 | 1/20 | 0.92 |
| ▸ | USP2 | O75604 | 1/20 | 0.92 |
| ▸ | MAPT | P10636 | 1/20 | 0.92 |
| ▸ | RECQL | P46063 | 1/20 | 0.92 |
| ▸ | BLM | P54132 | 1/20 | 0.92 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | CASP2 | P42575 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
| ▸ | CASP6 | P55212 | 1/20 | 0.33 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | METAP1 | P53582 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Alloxan SCHEMBL20262969 | 1.00 | KDM4E (0.92) | KDM4EOGTUSP2MAPTRECQL | |
| Alloxan SCHEMBL9093366 | 1.00 | KDM4E (0.92) | KDM4EOGTUSP2MAPTRECQL | |
| Alloxan SCHEMBL64547 | 0.96 | MAPT (1.00) | KDM4EOGTUSP2MAPTRECQL | |
| Alloxan SCHEMBL30616033 | 0.92 | KDM4E (0.92) | KDM4EOGTUSP2MAPTRECQL | |
| Alloxan SCHEMBL28977108 | 0.92 | KDM4E (0.92) | KDM4EOGTUSP2MAPTRECQL | |
| Alloxan SCHEMBL8924365 | 0.92 | KDM4E (0.92) | KDM4EOGTUSP2MAPTRECQL | |
| Alloxan SCHEMBL28758921 | 0.92 | KDM4E (0.92) | KDM4EOGTUSP2MAPTRECQL | |
| SCHEMBL123424 | 0.79 | — | — | |
| SCHEMBL28733117 | 0.74 | KDM4E (0.61) | KDM4EOGTUSP2MAPTRECQL | |
| Tetroquinone SCHEMBL2726713 | 0.69 | KDM4E (0.56) | KDM4EOGTUSP2MAPTRECQL |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180207192-A1 | SUBSTANCE AND METHOD FOR MODULATING PROLIFERATION AND DIFFERENTIATION OF REGULATORY, STEM AND OTHER SOMATIC CELLS | AOVART GmbH (CH) | 2018-07-26 | — | — | US | disclosed |
| EP-3160515-A1 | SUBSTANCE AND METHOD FOR MODULATING PROLIFERATION AND DIFFERENTIATION OF REGULATORY, STEM AND OTHER SOMATIC CELLS | Aovart GmbH (CH) | 2017-05-03 | — | — | EP | disclosed |
| US-20150374738-A1 | COMPOSITIONS AND METHODS FOR REGULATING CELL GROWTH AND DEVELOPMENT | AOVART GmbH (CH) | 2015-12-31 | — | — | US | disclosed |
| WO-2015198149-A1 | SUBSTANCE AND METHOD FOR MODULATING PROLIFERATION AND DIFFERENTIATION OF REGULATORY, STEM AND OTHER SOMATIC CELLS | AOVART GmbH (CH) | 2015-12-30 | — | — | WO | disclosed |