Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Hexanal. 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 | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.79 |
| ▸ | FAAH | O00519 | 2/20 | 0.68 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | ADH1B | P00325 | 1/20 | 0.44 |
| ▸ | ADH1C | P00326 | 1/20 | 0.44 |
| ▸ | ADH1A | P07327 | 1/20 | 0.44 |
| ▸ | ADH4 | P08319 | 1/20 | 0.44 |
| ▸ | ADH7 | P40394 | 1/20 | 0.44 |
| ▸ | EP300 | Q09472 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | GMNN | O75496 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| Nonanal SCHEMBL2352897 | 0.97 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Tridecanal SCHEMBL29019017 | 0.97 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Decanal SCHEMBL28505277 | 0.97 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Octanal SCHEMBL8439593 | 0.97 | TSHR (0.84) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Palmitaldehyde SCHEMBL27557698 | 0.95 | TSHR (0.80) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Hexanal SCHEMBL2449154 | 0.92 | TSHR (0.75) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Hexanal SCHEMBL27897439 | 0.92 | — | — | |
| Alcohol SCHEMBL18984967 | 0.91 | TSHR (0.63) | TSHRFAAHTRPV1ALDH1A1HIF1A | |
| Hexanal SCHEMBL22263 | 0.91 | — | — | |
| Hexanal SCHEMBL27594083 | 0.91 | TSHR (0.94) | TSHRFAAHTRPV1ALDH1A1HIF1A |
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-106414485-A | Artificially activated toxic peptides | 韦斯塔隆公司 | 2017-02-15 | — | — | CN | disclosed |