Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SOD1 | P00441 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | KARS1 | Q15046 | 3/20 | 0.40 |
| ▸ | FDPS | P14324 | 5/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | POLA1 | P09884 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.31 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.31 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL16006769 | 0.85 | KARS1 (0.43) | SOD1CYP3A4USP2MAPTHPGD | |
| SCHEMBL18290199 | 0.81 | KARS1 (0.40) | SOD1CYP3A4USP2MAPTKARS1 | |
| 18-Hydroxyferruginol SCHEMBL18290210 | 0.72 | KARS1 (0.67) | SOD1CYP3A4ALOX15USP2MAPT | |
| 18-Hydroxyferruginol SCHEMBL32666150 | 0.72 | KARS1 (0.67) | SOD1CYP3A4ALOX15USP2MAPT | |
| SCHEMBL18290229 | 0.70 | SOD1 (0.72) | SOD1CYP3A4ALOX15USP2MAPT | |
| SCHEMBL18290223 | 0.70 | SOD1 (0.34) | SOD1KARS1FDPS | |
| SCHEMBL18290208 | 0.70 | SOD1 (1.00) | SOD1CYP3A4ALOX15USP2MAPT | |
| SCHEMBL18290292 | 0.70 | SOD1 (1.00) | SOD1CYP3A4ALOX15USP2MAPT | |
| SCHEMBL29934500 | 0.68 | SOD1 (0.52) | SOD1CYP3A4USP2MAPTHPGD | |
| SCHEMBL18290357 | 0.68 | FDPS (0.46) | CYP3A4USP2MAPTHPGDFDPS |
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-2016192631-A1 | ABIETANE-TYPE DITERPENE COMPOUND HAVING LIPID-LOWERING ACTIVITY, METHOD FOR PREPARING SAME, AND USE OF SAME | 中国科学院上海药物研究所 | 2016-12-08 | — | — | WO | disclosed |