Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Nonanal. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.84 |
| ▸ | FAAH | O00519 | 2/20 | 0.73 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.73 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ADH1B | P00325 | 1/20 | 0.48 |
| ▸ | ADH1C | P00326 | 1/20 | 0.48 |
| ▸ | ADH1A | P07327 | 1/20 | 0.48 |
| ▸ | ADH4 | P08319 | 1/20 | 0.48 |
| ▸ | ADH7 | P40394 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | EP300 | Q09472 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Octanal SCHEMBL8439593 | 1.00 | TSHR (0.84) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Tridecanal SCHEMBL29019017 | 1.00 | TSHR (0.84) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Decanal SCHEMBL28505277 | 1.00 | TSHR (0.84) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Palmitaldehyde SCHEMBL27557698 | 0.97 | TSHR (0.80) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Hexanal SCHEMBL28119013 | 0.97 | TSHR (0.79) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Octanal SCHEMBL2453523 | 0.92 | TSHR (0.80) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Tridecanal SCHEMBL9083185 | 0.92 | TSHR (0.80) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Palmitaldehyde SCHEMBL6162415 | 0.92 | TSHR (0.80) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Heptanal SCHEMBL2454694 | 0.92 | TSHR (0.80) | TSHRFAAHTRPV1EPHX1ADH1B | |
| Octanal SCHEMBL27493183 | 0.92 | TSHR (0.89) | TSHRFAAHTRPV1EPHX1ADH1B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8007545-B2 | Deodorant compositions | KAO CORPORATION (JP) | 2011-08-30 | — | — | US | disclosed |
| US-20070117739-A1 | Deodorant compositions | KAO CORPORATION | 2007-05-24 | — | — | US | disclosed |
| EP-1787689-A1 | Deodorant compositions | Kao Corporation (JP) | 2007-05-23 | — | — | EP | disclosed |