Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | LMNA | P02545 | 5/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MAPK10 | P53779 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25400834 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL25400841 | 0.89 | CYP3A4 (0.58) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL29846698 | 0.87 | NPSR1 (0.55) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL29846945 | 0.84 | NPSR1 (0.50) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL24517792 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL29845959 | 0.81 | CYP3A4 (0.62) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL24518330 | 0.80 | CYP3A4 (0.67) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL29846834 | 0.80 | NPC1 (0.49) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL29846696 | 0.79 | POLB (0.52) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR | |
| SCHEMBL24518327 | 0.79 | CYP3A4 (0.60) | CYP3A4CYP2C19NPSR1ALDH1A1TSHR |
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-2022123530-A1 | BORONIC ACID COMPOUND | 주식회사 엘지화학 | 2022-06-16 | — | — | WO | disclosed |