Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.35 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | FEN1 | P39748 | 1/20 | 0.35 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.34 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1956753 | 0.83 | AKT2 (0.50) | PDK2AKT1AKT2ERN1ROCK2 | |
| SCHEMBL31663053 | 0.76 | ROCK2 (0.39) | PDK2AKT1AKT2ERN1ROCK2 | |
| SCHEMBL24802714 | 0.75 | TDP1 (0.44) | AKT2ERN1ROCK2ROCK1XDH | |
| SCHEMBL4033813 | 0.74 | KMT2A (0.46) | ERN1XDH | |
| SCHEMBL29628511 | 0.74 | TSHR (0.46) | PDK2AKT1AKT2ROCK2ROCK1 | |
| SCHEMBL29746276 | 0.73 | ERN1 (0.34) | ERN1P2RX7XDH | |
| SCHEMBL24217030 | 0.72 | XDH (0.36) | ERN1XDH | |
| SCHEMBL31190907 | 0.71 | POLB (0.55) | AKT1AKT2ROCK2ROCK1ADRA1D | |
| SCHEMBL29749647 | 0.71 | ERN1 (0.34) | ERN1XDH | |
| SCHEMBL5380089 | 0.71 | AKT1 (0.55) | PDK2AKT1AKT2ROCK2ROCK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3997096-B1 | NEW HETEROCYCLIC COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2024-08-28 | — | — | EP | claimed |