Known targets — ChEMBL curated mechanism
rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Stearic Acid. 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 | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.58 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | HTR2B | P41595 | 1/20 | 0.58 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.47 |
| ▸ | PPARG | P37231 | 7/20 | 0.47 |
| ▸ | PPARD | Q03181 | 7/20 | 0.47 |
| ▸ | PPARA | Q07869 | 7/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.47 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TLR2 | O60603 | 2/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | FABP4 | P15090 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.47 |
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 SCHEMBL29143213 | 1.00 | TRPA1 (0.58) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Nonanoate SCHEMBL28319012 | 1.00 | TRPA1 (0.58) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL15456835 | 1.00 | TRPA1 (0.58) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Dodecanoate SCHEMBL17073978 | 1.00 | TRPA1 (0.58) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL28980177 | 0.99 | TRPA1 (0.60) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL249974 | 0.94 | TRPA1 (0.62) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Linoleic Acid SCHEMBL28080406 | 0.91 | PPARG (0.59) | LMNACHRM1SLC6A2PPARGPPARD | |
| Thymol SCHEMBL248717 | 0.88 | TRPA1 (0.66) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Undecane SCHEMBL6583325 | 0.88 | TRPA1 (0.75) | TRPA1LMNACHRM1SLC6A2ADRA1A | |
| Thymol SCHEMBL18247781 | 0.87 | TRPA1 (0.72) | TRPA1LMNACHRM1SLC6A2ADRA1A |
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-105707469-A | Thymol ester, feed additive and feed | 湖南晶天科技实业有限公司 | 2016-06-29 | — | — | CN | disclosed |