Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 14/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 12/20 | 0.41 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | TEK | Q02763 | 1/20 | 0.37 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | CLK1 | P49759 | 1/20 | 0.37 |
| ▸ | CLK2 | P49760 | 1/20 | 0.37 |
| ▸ | CLK3 | P49761 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | HIPK1 | Q86Z02 | 1/20 | 0.37 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.37 |
| ▸ | HIPK3 | Q9H422 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL31252853 | 1.00 | ROCK2 (0.41) | ROCK2ROCK1IRAK4TEKMAPK8 | |
| SCHEMBL25590564 | 0.82 | ROCK1 (0.48) | ROCK2ROCK1TEKMAPT | |
| SCHEMBL25592377 | 0.78 | DDR2 (0.56) | TEKMAPT | |
| SCHEMBL25590563 | 0.77 | SMN1; SMN2 (0.45) | ROCK2ROCK1TEKMAPT | |
| SCHEMBL1085922 | 0.68 | ALDH1A1 (0.41) | ROCK2ROCK1 | |
| SCHEMBL14978288 | 0.68 | AKT1 (0.44) | MAPK8CLK1CLK2CLK3DYRK1A | |
| SCHEMBL26414472 | 0.66 | CLK2 (0.45) | ROCK2ROCK1MAPK8CLK1CLK2 | |
| SCHEMBL12273355 | 0.65 | NNMT (0.49) | ROCK2ROCK1IRAK4MAPK8MAPT | |
| SCHEMBL25591776 | 0.65 | ABL1 (0.50) | MAPT | |
| SCHEMBL15616055 | 0.64 | MELK (0.52) | ROCK2ROCK1IRAK4MAPK8DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023088435-A1 | PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR | 成都奥睿药业有限公司 | 2023-05-25 | — | — | WO | disclosed |
| CN-115785064-A | Preparation of tri-substituted pyridine derivatives and their use as modulators of aromatic hydrocarbon receptors | 成都奥睿药业有限公司 | 2023-03-14 | — | — | CN | disclosed |