Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 9/20 | 0.53 |
| ▸ | MAPT | P10636 | 6/20 | 0.53 |
| ▸ | PIK3C3 | Q8NEB9 | 1/20 | 0.51 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.49 |
| ▸ | GSK3A | P49840 | 2/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.46 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.45 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.45 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | CHUK | O15111 | 1/20 | 0.45 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 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 | |
|---|---|---|---|---|
| SCHEMBL16703135 | 0.86 | KDM4C (0.58) | GSK3BMAPT | |
| SCHEMBL18421265 | 0.78 | KDM4C (0.51) | IRAK4 | |
| SCHEMBL29856133 | 0.78 | GSK3B (0.68) | GSK3BMAPTGSK3AROCK2ROCK1 | |
| SCHEMBL14782130 | 0.78 | HDAC3 (0.53) | GSK3BCYP3A4ROCK2ROCK1PKN2 | |
| SCHEMBL21724826 | 0.78 | SIRT2 (0.63) | PIK3C3MAPK10SIRT2TP53HDAC3 | |
| SCHEMBL18422044 | 0.78 | IRAK4 (0.50) | MAPTIRAK4SIRT2HTTGLA | |
| SCHEMBL29601833 | 0.78 | IRAK4 (0.50) | MAPTIRAK4SIRT2HTTGLA | |
| SCHEMBL29892972 | 0.76 | KDM4C (0.52) | IRAK4 | |
| SCHEMBL4934772 | 0.76 | IRAK4 (0.49) | MAPTIRAK4SIRT2 | |
| SCHEMBL18421392 | 0.76 | AOC1 (0.55) | TP53KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3066092-A1 | SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS | Bristol-Myers Squibb Company (US) | 2016-09-14 | — | — | EP | disclosed |
| WO-2015069593-A1 | SUBSTITUTED PYRIDINE DERIVATIVES USEFUL AS GSK-3 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-05-14 | — | — | WO | disclosed |