Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Carvacrol. 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 | |
|---|---|---|---|---|
| ▸ | PTGS1 known ✓ | P23219 | 2/20 | 0.95 |
| ▸ | CACNA1C known ✓ | Q13936 | 1/20 | 0.95 |
| ▸ | PTGS2 known ✓ | P35354 | 1/20 | 0.44 |
| ▸ | HDAC4 known ✓ | P56524 | 1/20 | 0.44 |
| ▸ | HDAC2 known ✓ | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 known ✓ | Q9BY41 | 1/20 | 0.44 |
| ▸ | ACHE known ✓ | P22303 | 5/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.95 |
| ▸ | LMNA | P02545 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.52 |
| ▸ | HTT | P42858 | 2/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TYR | P14679 | 4/20 | 0.52 |
| ▸ | RNASEH1 | O60930 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Carvacrol SCHEMBL29049290 | 1.00 | PTGS1 (0.95) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL5326397 | 0.98 | PTGS1 (1.00) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL29544247 | 0.98 | PTGS1 (1.00) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL24734 | 0.98 | PTGS1 (1.00) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL5031273 | 0.95 | PTGS1 (0.95) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL1668461 | 0.95 | PTGS1 (0.95) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL5030301 | 0.95 | PTGS1 (0.95) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL31732819 | 0.95 | PTGS1 (0.95) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL7075922 | 0.95 | PTGS1 (0.95) | PTGS1TRPA1CACNA1CLMNAALDH1A1 | |
| Carvacrol SCHEMBL28865744 | 0.95 | PTGS1 (0.95) | PTGS1TRPA1CACNA1CLMNAALDH1A1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117338998-A | Preparation method of blue light synergistic carvacrol microemulsion gel | 华南农业大学 | 2024-01-05 | — | — | CN | claimed |
| CN-118320087-A | Polymer composite hydrogel, preparation method thereof and tooth desensitizing material | 吉林大学第一医院 | 2024-07-12 | — | — | CN | disclosed |
| CN-117796403-A | Application of catechin in inhibiting bacillus cereus | 陕西科技大学 | 2024-04-02 | — | — | CN | disclosed |
| CN-117338998-A | Preparation method of blue light synergistic carvacrol microemulsion gel | 华南农业大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-117338998-A | Preparation method of blue light synergistic carvacrol microemulsion gel | 华南农业大学 | 2024-01-05 | — | — | CN | disclosed |
| CN-116267910-A | Nanoemulsion with bacillus cereus inhibition effect and preparation method and application thereof | 华南理工大学 | 2023-06-23 | — | — | CN | disclosed |