Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | ROCK2 | O75116 | 9/20 | 0.51 |
| ▸ | GSK3B | P49841 | 2/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.51 |
| ▸ | CDC7 | O00311 | 1/20 | 0.51 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.51 |
| ▸ | PIM1 | P11309 | 1/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.51 |
| ▸ | MAPK3 | P27361 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | RET | P07949 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18254903 | 0.83 | ROCK2 (0.73) | ROCK2GSK3BCLK4CDC7MAP4K4 | |
| SCHEMBL29114944 | 0.81 | ALDH1A1 (0.53) | TP53MMP13CYP2D6 | |
| SCHEMBL1569176 | 0.79 | L3MBTL1 (0.68) | AURKAROCK2GSK3BCLK4MAP4K4 | |
| SCHEMBL4856810 | 0.78 | GSK3B (0.71) | AURKAROCK2GSK3BCLK4CDC7 | |
| SCHEMBL18254898 | 0.77 | ROCK2 (0.70) | ROCK2GSK3BCLK4MAP4K4CDK2 | |
| SCHEMBL18254909 | 0.77 | ROCK2 (0.70) | ROCK2GSK3BCLK4MAP4K4CDK2 | |
| SCHEMBL29114941 | 0.77 | POLB (0.50) | TP53 | |
| SCHEMBL18254802 | 0.76 | MAPK1 (0.63) | ROCK2MAPK3MAPK1 | |
| SCHEMBL25718877 | 0.76 | ROCK2 (0.74) | AURKAROCK2GSK3BCLK4CDC7 | |
| SCHEMBL4929351 | 0.75 | ACKR3 (0.58) | AURKAROCK2GSK3BCLK4CDC7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018094362-A1 | HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS | TRANSLATIONAL DRUG DEVELOPMENT, LLC (US) | 2018-05-24 | — | — | WO | disclosed |