Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 6/20 | 0.68 |
| ▸ | DYRK1B | Q9Y463 | 5/20 | 0.68 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 7/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | AXL | P30530 | 2/20 | 0.55 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.55 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 4/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.46 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27602993 | 0.78 | DYRK1A (0.78) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL3258545 | 0.78 | MAPT (0.50) | DYRK1ADYRK1BCYP3A4ALDH1A1CYP1A2 | |
| SCHEMBL7213603 | 0.78 | DYRK1A (0.68) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL14817175 | 0.78 | DYRK1A (0.68) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL2897323 | 0.76 | ALDH1A1 (0.45) | DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL6193569 | 0.75 | DYRK1A (0.64) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL7127091 | 0.75 | DYRK1B (0.58) | DYRK1ADYRK1BDYRK2CYP2A6CYP3A4 | |
| SCHEMBL30473120 | 0.74 | CYP2A6 (1.00) | DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL29419014 | 0.74 | CYP2A6 (1.00) | DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1 | |
| SCHEMBL120088 | 0.74 | CYP2A6 (1.00) | DYRK1ADYRK1BCYP2A6CYP3A4ALDH1A1 |
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-2010028193-A1 | COMPOUNDS INCLUDING PIMELIC ACID DERIVATIVES AS HDAC INHIBITORS | REPLIGEN CORPORATION (US) | 2010-03-11 | — | — | WO | disclosed |