Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.51 |
| ▸ | CNR2 | P34972 | 4/20 | 0.49 |
| ▸ | PPARA | Q07869 | 2/20 | 0.49 |
| ▸ | FTH1 | P02794 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | PNLIP | P16233 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29477300 | 0.73 | CYP3A4 (0.61) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL17865273 | 0.71 | CNR2 (0.57) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL17845223 | 0.70 | CYP3A4 (0.54) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL17845218 | 0.70 | CYP3A4 (0.54) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL17841781 | 0.70 | CYP3A4 (0.54) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL24176575 | 0.70 | CYP3A4 (0.52) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL19760806 | 0.70 | CYP3A4 (0.52) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL17845841 | 0.70 | CYP3A4 (0.54) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL11307470 | 0.68 | CYP3A4 (0.77) | CYP3A4CNR2PPARAFTH1CYP2C9 | |
| SCHEMBL24176295 | 0.68 | CYP3A4 (0.77) | CYP3A4CNR2PPARAFTH1CYP2C9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3233780-A1 | 1-(7,10,10-TRIMETHYL-4-BICYCLO(6.2.0)DECANYL)ETHANONE AS NOVEL AROMA CHEMICAL | BASF SE (DE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016097238-A1 | 1-(7,10,10-TRIMETHYL-4-BICYCLO(6.2.0)DECANYL)ETHANONE AS NOVEL AROMA CHEMICAL | BASF SE (DE) | 2016-06-23 | — | — | WO | disclosed |