Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.66 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.66 |
| ▸ | POLB | P06746 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | PPARD | Q03181 | 1/20 | 0.31 |
| ▸ | PPARA | Q07869 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | DHFR | P00374 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Apiol SCHEMBL29410305 | 0.80 | CYP3A4 (1.00) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| Apiol SCHEMBL497412 | 0.80 | CYP3A4 (1.00) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL3931943 | 0.74 | CYP3A4 (0.80) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL3486950 | 0.69 | POLB (1.00) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL10539412 | 0.67 | CYP3A4 (0.64) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL3690822 | 0.65 | CYP3A4 (0.61) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL28431337 | 0.65 | CYP3A4 (0.60) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| Elemicin SCHEMBL68041 | 0.65 | CYP3A4 (1.00) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| SCHEMBL26060412 | 0.65 | CYP3A4 (0.68) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 | |
| Elemicin SCHEMBL30363316 | 0.65 | CYP3A4 (1.00) | CYP3A4ALOX15POLBALDH1A1SMN1; SMN2 |
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-2016079197-A1 | DELIVERY ENHANCERS FOR CONJUGATED SIRNA AND LIPID NANOPARTICLES | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2016-05-26 | — | — | WO | disclosed |