Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Aes-103. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.96 |
| ▸ | TSHR | P16473 | 2/20 | 0.96 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.45 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
| ▸ | LDHB | P07195 | 1/20 | 0.37 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Aes-103 SCHEMBL31307749 | 0.98 | — | — | |
| Aes-103 SCHEMBL28624601 | 0.96 | — | — | |
| Aes-103 SCHEMBL27985348 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 | |
| Aes-103 SCHEMBL27785806 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 | |
| Aes-103 SCHEMBL29399464 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 | |
| Aes-103 SCHEMBL29742366 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 | |
| Aes-103 SCHEMBL31307061 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 | |
| Aes-103 SCHEMBL28986200 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 | |
| Aes-103 SCHEMBL17872171 | 0.96 | ALDH1A1 (0.96) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 | |
| Aes-103 SCHEMBL28397815 | 0.94 | ALDH1A1 (0.92) | ALDH1A1TSHRTDP1G6PC1L3MBTL1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2197867-B1 | HYDROXYMETHYLFURFURAL ETHERS FROM SUGARS OR HMF AND BRANCHED ALCOHOLS | FURANIX TECHNOLOGIES BV (NL) | 2016-03-02 | — | — | EP | claimed |
| EP-2197865-B1 | HYDROXYMETHYLFURFURAL ETHERS FROM HMF AND OLEFINS | FURANIX TECHNOLOGIES BV (NL) | 2012-08-22 | — | — | EP | claimed |
| EP-2183236-B1 | HYDROXYMETHYLFURFURAL ETHERS AND ESTERS PREPARED IN IONIC LIQUIDS | FURANIX TECHNOLOGIES BV (NL) | 2011-02-16 | — | — | EP | claimed |
| CN-116969987-A | Method for preparing 1,2,3, 4-disilyl tetrahydroquinoline compound by utilizing chitosan Schiff base copper functional material | 众力百捷(湖北)科技有限公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-113582952-B | Method for preparing 2, 5-furandicarboxylic acid by using straw | 湖南农业大学 | 2023-08-01 | — | — | CN | disclosed |
| US-20230136651-A1 | METAL-PHOSPHORIZED CATALYST FOR PRODUCING 2,5-FURANDICARBOXYLIC ACID AND METHOD FOR PRODUCING 2,5-FURANDICARBOXYLIC ACID USING THE SAME | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2023-05-04 | — | — | US | disclosed |
| CN-113582952-A | Method for preparing 2, 5-furandicarboxylic acid by using straws | 湖南农业大学 | 2021-11-02 | — | — | CN | disclosed |