Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Vanillin. 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 | |
|---|---|---|---|---|
| ▸ | ALOX5 known ✓ | P09917 | 3/20 | 0.62 |
| ▸ | EGFR known ✓ | P00533 | 2/20 | 0.60 |
| ▸ | MEN1 known ✓ | O00255 | 1/20 | 0.58 |
| ▸ | HDAC3 known ✓ | O15379 | 1/20 | 0.58 |
| ▸ | THRB known ✓ | P10828 | 1/20 | 0.58 |
| ▸ | VDR known ✓ | P11473 | 1/20 | 0.58 |
| ▸ | PTGS1 known ✓ | P23219 | 1/20 | 0.58 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.58 |
| ▸ | MMP13 known ✓ | P45452 | 1/20 | 0.58 |
| ▸ | GSK3B known ✓ | P49841 | 1/20 | 0.58 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.58 |
| ▸ | HDAC1 known ✓ | Q13547 | 1/20 | 0.58 |
| ▸ | HDAC7 known ✓ | Q8WUI4 | 1/20 | 0.58 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.58 |
| ▸ | HDAC10 known ✓ | Q969S8 | 1/20 | 0.58 |
| ▸ | HDAC11 known ✓ | Q96DB2 | 1/20 | 0.58 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.58 |
| ▸ | HDAC6 known ✓ | Q9UBN7 | 1/20 | 0.58 |
| ▸ | HDAC9 known ✓ | Q9UKV0 | 1/20 | 0.58 |
| ▸ | HDAC5 known ✓ | Q9UQL6 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Vanillin SCHEMBL20549709 | 1.00 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL1213 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL720723 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL29354839 | 0.98 | ALDH1A1 (1.00) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL8853913 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL19411839 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL19149274 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL2907529 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL8854077 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 | |
| Vanillin SCHEMBL4442606 | 0.96 | ALDH1A1 (0.96) | ALDH1A1HPGDTDP1TRIM24ALDH5A1 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117925569-A | Preparation method of immobilized lipase and application of immobilized lipase in Pickering interface catalysis | 华南理工大学 | 2024-04-26 | — | — | CN | claimed |
| CN-118791369-A | Method for preparing creosol based on Co-Cu bimetallic catalyst | 青岛科技大学 | 2024-10-18 | — | — | CN | disclosed |
| CN-118791369-A | Method for preparing creosol based on Co-Cu bimetallic catalyst | 青岛科技大学 | 2024-10-18 | — | — | CN | disclosed |
| CN-117925569-A | Preparation method of immobilized lipase and application of immobilized lipase in Pickering interface catalysis | 华南理工大学 | 2024-04-26 | — | — | CN | disclosed |
| CN-113649004-B | Hollow carbon sphere supported metal particle catalyst and preparation method and application thereof | 中国科学院合肥物质科学研究院 | 2023-10-13 | — | — | CN | disclosed |
| CN-113649004-B | Hollow carbon sphere supported metal particle catalyst and preparation method and application thereof | 中国科学院合肥物质科学研究院 | 2023-10-13 | — | — | CN | disclosed |
| CN-116236923-A | Composite pervaporation membrane and preparation method and application thereof | 大连理工大学 | 2023-06-09 | — | — | CN | disclosed |
| CN-115672323-A | Carbon shell coated metal particle loaded silicon-based catalyst, and preparation method and application thereof | 中国科学院合肥物质科学研究院 | 2023-02-03 | — | — | CN | disclosed |
| CN-112972399-B | Ibuprofen-loaded o-vanillin composite particle and preparation method thereof | 天津大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-114560877-A | Oxyconganyl carboxylic acid-based cadmium complex for quick fluorescence detection of vanillin in milk powder and preparation method and application of test paper modified by oxobridged carboxylic acid-based cadmium complex | 渤海大学 | 2022-05-31 | — | — | CN | disclosed |