Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.50 |
| ▸ | FTH1 | P02794 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24176575 | 0.82 | CYP3A4 (0.52) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| SCHEMBL19760806 | 0.82 | CYP3A4 (0.52) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| SCHEMBL16181033 | 0.72 | CYP3A4 (0.59) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| SCHEMBL17865273 | 0.68 | CNR2 (0.57) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| SCHEMBL17845840 | 0.68 | CYP3A4 (0.51) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| SCHEMBL24176168 | 0.67 | CYP3A4 (0.56) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| (-)-Caryophyllene Oxide SCHEMBL18788522 | 0.67 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| SCHEMBL24176164 | 0.67 | CYP3A4 (0.56) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| (-)-Caryophyllene Oxide SCHEMBL21349931 | 0.67 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19CNR2 | |
| (-)-Caryophyllene Oxide SCHEMBL17857878 | 0.67 | CYP3A4 (1.00) | CYP3A4FTH1CYP2C9CYP2C19CNR2 |
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-2016097239-A1 | PROCESS FOR PREPARING 1-[(1R,4R/S,8S)-10,10-DIMETHYL-7-METHYLENE-4-BICYCLO[6.2.0]DECANYL]ETHANONE | BASF SE (DE) | 2016-06-23 | — | — | WO | disclosed |