Known targets — ChEMBL curated mechanism
CHRM1DRD2DRD3DRD4HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR2APDE3ASIGMAR1
The experimentally established mechanism targets of Thymol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 known ✓ | P11229 | 1/20 | 0.75 |
| ▸ | LMNA | P02545 | 2/20 | 0.75 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.75 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.75 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.75 |
| ▸ | HTR2B | P41595 | 1/20 | 0.75 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | ALB | P02768 | 1/20 | 0.41 |
| ▸ | LDHB | P07195 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Thymol SCHEMBL28080455 | 0.91 | TRPA1 (0.78) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL28150359 | 0.91 | TRPA1 (0.84) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL250092 | 0.89 | TRPA1 (0.81) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL11054439 | 0.89 | LMNA (0.95) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL28152803 | 0.87 | LMNA (0.91) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL29579824 | 0.87 | LMNA (1.00) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL30332213 | 0.87 | LMNA (1.00) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL22165 | 0.87 | LMNA (1.00) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL1867982 | 0.87 | LMNA (1.00) | LMNATRPA1CHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL23932298 | 0.85 | LMNA (0.95) | LMNATRPA1CHRM1SLC6A2ADRA1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117320685-A | Composition for skin protection comprising an antimicrobial agent and a (bio) -alkanediol | 西姆莱斯股份公司 | 2023-12-29 | — | — | CN | disclosed |