Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 1.00 |
| ▸ | SHBG | P04278 | 7/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.37 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.37 |
| ▸ | SERPINA6 | P08185 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.37 |
| ▸ | NR3C1 | P04150 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.37 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.37 |
| ▸ | PGR | P06401 | 2/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Nootkatone SCHEMBL14137791 | 1.00 | CYP2C19 (1.00) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| Nootkatone SCHEMBL110855 | 1.00 | CYP2C19 (1.00) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| Nootkatone SCHEMBL335639 | 1.00 | CYP2C19 (1.00) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| Nootkatone SCHEMBL10146951 | 1.00 | CYP2C19 (1.00) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| Nootkatone SCHEMBL309679 | 1.00 | CYP2C19 (1.00) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL16188788 | 0.87 | CYP2C19 (0.78) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL6857288 | 0.87 | CYP2C19 (0.78) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL20784005 | 0.85 | CYP2C19 (0.74) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL24434436 | 0.84 | CYP2C19 (0.73) | CYP2C19SHBGALDH1A1SMN1; SMN2LMNA | |
| Nootkatone SCHEMBL21328500 | 0.82 | CYP2C19 (0.68) | CYP2C19 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2099421-B1 | ANTIMICROBIAL FLAVOURING COMPOSITION | FIRMENICH & CIE (CH) | 2010-06-30 | — | — | EP | disclosed |
| EP-2099421-A1 | ANTIMICROBIAL FLAVOURING COMPOSITION | Firmenich SA (CH) | 2009-09-16 | — | — | EP | disclosed |
| US-7585833-B2 | Malodor covering perfumery | GIVAUDAN FRAGRANCES CORPORATION (US) | 2009-09-08 | — | — | US | disclosed |
| WO-2008068683-A1 | ANTIMICROBIAL FLAVOURING COMPOSITION | FIRMENICH SA (CH) | 2008-06-12 | — | — | WO | disclosed |
| US-20060207037-A1 | Malodor covering perfumery | GIVAUDAN FRAGRANCES CORPORATION | 2006-09-21 | — | — | US | disclosed |