Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | AURKA | O14965 | 6/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.40 |
| ▸ | BPTF | Q12830 | 2/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 2/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.38 |
| ▸ | GALR2 | O43603 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.37 |
| ▸ | HTR1D | P28221 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25386410 | 1.00 | KCNH2 (0.42) | KCNH2AURKAROCK2BPTFAURKB | |
| SCHEMBL25387093 | 0.88 | KCNH2 (0.56) | KCNH2AURKAROCK2BPTFAURKB | |
| SCHEMBL30514104 | 0.88 | KCNH2 (0.56) | KCNH2AURKAROCK2BPTFAURKB | |
| SCHEMBL25386533 | 0.86 | BPTF (0.55) | KCNH2AURKAROCK2BPTFAURKB | |
| SCHEMBL25386906 | 0.86 | KCNH2 (0.54) | KCNH2AURKAAURKBPIK3CDAKT1 | |
| SCHEMBL30514108 | 0.86 | KCNH2 (0.54) | KCNH2AURKAAURKBPIK3CDAKT1 | |
| SCHEMBL25386786 | 0.84 | AURKA (0.40) | KCNH2AURKAROCK2BPTFAURKB | |
| SCHEMBL30514129 | 0.84 | AURKA (0.40) | KCNH2AURKAROCK2BPTFAURKB | |
| SCHEMBL30661958 | 0.80 | KCNH2 (0.61) | KCNH2HTR6 | |
| SCHEMBL25387801 | 0.74 | KCNH2 (0.56) | KCNH2AURKAAURKBPIK3CDAKT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116507611-A | Novel capsid assembly inhibitor | 佩勒梅德有限公司 | 2023-07-28 | — | — | CN | disclosed |