Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.65 |
| ▸ | FTH1 | P02794 | 1/20 | 0.65 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | PPARA | Q07869 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| (-)-Caryophyllene Oxide SCHEMBL16489852 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL18788522 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL21349931 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL24110118 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL17857878 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL24110084 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL1532444 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL16769854 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL676309 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 | |
| (-)-Caryophyllene Oxide SCHEMBL127077 | 0.81 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009117623-A2 | PEST CONTROL USING NATURAL PEST CONTROL AGENT BLENDS | TYRATECH, INC. (US) | 2009-09-24 | — | — | WO | disclosed |