Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 7/20 | 0.45 |
| ▸ | CDC42BPB | Q9Y5S2 | 7/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.43 |
| ▸ | CDC42BPA | Q5VT25 | 3/20 | 0.43 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.42 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.39 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.39 |
| ▸ | CHUK | O15111 | 2/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12590787 | 0.72 | CHUK (0.48) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL26095838 | 0.70 | ROCK2 (0.48) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL22026399 | 0.70 | LRRK2 (0.46) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL16190651 | 0.69 | LRRK2 (0.67) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL14649086 | 0.67 | MAP3K7 (0.56) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL2600504 | 0.67 | LRRK2 (0.39) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL29878823 | 0.67 | KDM4E (0.41) | — | |
| SCHEMBL20641160 | 0.67 | LRRK2 (0.46) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL12590786 | 0.66 | MAP3K7 (0.51) | LRRK2CDC42BPBROCK2ROCK1CDC42BPA | |
| SCHEMBL15758053 | 0.64 | S1PR2 (0.42) | LRRK2 |
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 |