Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 12/20 | 0.68 |
| ▸ | MMP1 | P03956 | 4/20 | 0.56 |
| ▸ | MMP2 | P08253 | 4/20 | 0.56 |
| ▸ | MMP9 | P14780 | 4/20 | 0.56 |
| ▸ | MAOB | P27338 | 4/20 | 0.56 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
| ▸ | EGFR | P00533 | 1/20 | 0.56 |
| ▸ | CDK7 | P50613 | 2/20 | 0.53 |
| ▸ | PLK4 | O00444 | 1/20 | 0.53 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.53 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.53 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.53 |
| ▸ | PAK4 | O96013 | 1/20 | 0.53 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.53 |
| ▸ | INSR | P06213 | 1/20 | 0.53 |
| ▸ | CDK1 | P06493 | 1/20 | 0.53 |
| ▸ | FES | P07332 | 1/20 | 0.53 |
| ▸ | ROS1 | P08922 | 1/20 | 0.53 |
| ▸ | PDGFRB | P09619 | 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 | |
|---|---|---|---|---|
| SCHEMBL29883554 | 1.00 | CDK8 (0.68) | CDK8MMP1MMP2MMP9MAOB | |
| SCHEMBL29883280 | 0.91 | CDK8 (0.69) | CDK8MMP1MMP2MMP9EGFR | |
| SCHEMBL28958611 | 0.91 | CDK8 (0.69) | CDK8MMP1MMP2MMP9EGFR | |
| SCHEMBL28882008 | 0.89 | CDK8 (0.71) | CDK8MMP1MMP2MMP9MAOB | |
| SCHEMBL29883584 | 0.89 | CDK8 (0.71) | CDK8MMP1MMP2MMP9MAOB | |
| SCHEMBL29883221 | 0.88 | CDK8 (0.73) | CDK8MMP1MMP2MMP9MAOB | |
| SCHEMBL28882046 | 0.88 | CDK8 (0.73) | CDK8MMP1MMP2MMP9MAOB | |
| SCHEMBL29883545 | 0.87 | CDK8 (0.72) | CDK8CDK7PLK4DCLK1ROCK2 | |
| SCHEMBL28882074 | 0.87 | CDK8 (0.72) | CDK8CDK7PLK4DCLK1ROCK2 | |
| SCHEMBL28882275 | 0.87 | CDK8 (0.77) | CDK8CDK7PLK4DCLK1ROCK2 |
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-115141197-B | 3-aromatic heterocycle substituted phenyl derivative and preparation method and application thereof | 安徽医科大学 | 2024-03-26 | — | — | CN | disclosed |
| CN-115141197-A | 3-aromatic heterocyclic substituted phenyl derivative and preparation method and application thereof | 安徽医科大学 | 2022-10-04 | — | — | CN | disclosed |