Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1953481 | 0.81 | CHEK1 (0.40) | CHEK1MAPK1TRPA1 | |
| SCHEMBL20758409 | 0.78 | CHEK1 (0.46) | CHEK1MAPK1BRD4ROCK2ROCK1 | |
| SCHEMBL9923093 | 0.77 | CAMKK2 (0.38) | ROCK2 | |
| SCHEMBL9923472 | 0.75 | AXL (0.43) | — | |
| SCHEMBL20758322 | 0.75 | CHEK1 (0.51) | CHEK1MAPK1BRD4ROCK2ROCK1 | |
| SCHEMBL16854295 | 0.72 | CHEK1 (0.49) | CHEK1MAPK1TRPA1 | |
| SCHEMBL13040462 | 0.68 | KMT2A (0.38) | ROCK2ROCK1CDC42BPBTRPA1CDC42BPA | |
| SCHEMBL20396265 | 0.68 | MAPK1 (0.46) | CHEK1MAPK1BRD4ROCK2TRPA1 | |
| SCHEMBL26176313 | 0.67 | CHEK1 (0.46) | CHEK1ROCK2ROCK1CDC42BPBTRPA1 | |
| SCHEMBL29956460 | 0.67 | KMT2A (0.47) | CHEK1MAPK1ROCK2ROCK1CDC42BPB |
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-2012078802-A1 | PREPARATION OF SUBSTITUTED-4,5-DIHYDROPYRROLO[4,3,2-de][2,6]NAPHTHYRIDIN-3(1H)-ONES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2012-06-14 | — | — | WO | disclosed |