Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK8 | P49336 | 14/20 | 0.74 |
| ▸ | MMP1 | P03956 | 2/20 | 0.55 |
| ▸ | MMP2 | P08253 | 2/20 | 0.55 |
| ▸ | MMP9 | P14780 | 2/20 | 0.55 |
| ▸ | CDK7 | P50613 | 2/20 | 0.54 |
| ▸ | PLK4 | O00444 | 1/20 | 0.54 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.54 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.54 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.54 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | PAK4 | O96013 | 1/20 | 0.54 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.54 |
| ▸ | INSR | P06213 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | FES | P07332 | 1/20 | 0.54 |
| ▸ | ROS1 | P08922 | 1/20 | 0.54 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.54 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.54 |
| ▸ | FER | P16591 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL29883569 | 1.00 | CDK8 (0.74) | CDK8MMP1MMP2MMP9CDK7 | |
| SCHEMBL28882046 | 0.91 | CDK8 (0.73) | CDK8MMP1MMP2MMP9CDK7 | |
| SCHEMBL29883221 | 0.91 | CDK8 (0.73) | CDK8MMP1MMP2MMP9CDK7 | |
| SCHEMBL29883381 | 0.91 | CDK8 (0.82) | CDK8CDK7PLK4DCLK1ROCK2 | |
| SCHEMBL28882044 | 0.91 | CDK8 (0.82) | CDK8CDK7PLK4DCLK1ROCK2 | |
| SCHEMBL29883357 | 0.90 | CDK8 (0.71) | CDK8MMP1MMP2MMP9CDK7 | |
| SCHEMBL29883280 | 0.90 | CDK8 (0.69) | CDK8MMP1MMP2MMP9CDK7 | |
| SCHEMBL28882270 | 0.90 | CDK8 (0.71) | CDK8MMP1MMP2MMP9CDK7 | |
| SCHEMBL28958611 | 0.90 | CDK8 (0.69) | CDK8MMP1MMP2MMP9CDK7 | |
| SCHEMBL28882047 | 0.89 | CDK8 (0.68) | CDK8MMP1MMP2MMP9CDK7 |
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 |