Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 12/20 | 0.71 |
| ▸ | RPS6KB1 | P23443 | 10/20 | 0.71 |
| ▸ | AURKB | Q96GD4 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.57 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.57 |
| ▸ | TSHR | P16473 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | USP2 | O75604 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.54 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.53 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL1461787 | 1.00 | AURKA (0.71) | AURKARPS6KB1AURKBCYP1A2CYP3A4 | |
| SCHEMBL24399745 | 0.92 | AURKA (0.71) | AURKARPS6KB1AURKBCYP1A2CYP3A4 | |
| SCHEMBL29638651 | 0.91 | AURKA (0.85) | AURKARPS6KB1AURKBPDPK1 | |
| SCHEMBL12786650 | 0.90 | AURKA (0.64) | AURKARPS6KB1AURKB | |
| SCHEMBL1460958 | 0.88 | MAPT (0.72) | AURKARPS6KB1AURKBCYP1A2CYP3A4 | |
| SCHEMBL30402343 | 0.86 | AURKA (0.55) | AURKARPS6KB1AURKBCYP1A2CYP3A4 | |
| SCHEMBL24399556 | 0.86 | AURKA (0.55) | AURKARPS6KB1AURKBCYP1A2CYP3A4 | |
| SCHEMBL27902365 | 0.86 | AURKA (0.55) | AURKARPS6KB1AURKBCYP1A2CYP3A4 | |
| SCHEMBL24399727 | 0.84 | MAPT (0.63) | AURKARPS6KB1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL30401975 | 0.84 | MAPT (0.63) | AURKARPS6KB1CYP1A2CYP3A4CYP2C19 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117126140-A | Heterocyclic compounds having protein kinase inhibitory activity, pharmaceutical compositions containing the same, and methods of preparing and using the same | 四川科伦博泰生物医药股份有限公司 | 2023-11-28 | — | — | CN | disclosed |
| CN-116096718-A | Aryl amide compound, pharmaceutical composition containing same, preparation method and application thereof | 四川科伦博泰生物医药股份有限公司 | 2023-05-09 | — | — | CN | disclosed |