Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 5/20 | 0.39 |
| ▸ | GSK3B | P49841 | 4/20 | 0.35 |
| ▸ | GSK3A | P49840 | 3/20 | 0.35 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | CTSA | P10619 | 2/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | PRKCG | P05129 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 2/20 | 0.34 |
| ▸ | PRKACA | P17612 | 2/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19849273 | 0.82 | SLC22A12 (0.40) | GSK3BGSK3ACDK2CYP11B1CYP11B2 | |
| SCHEMBL16702543 | 0.78 | GSK3B (0.56) | GSK3BGSK3A | |
| SCHEMBL19417859 | 0.75 | GSK3B (0.43) | GSK3BGSK3AALDH1A1 | |
| SCHEMBL27415952 | 0.69 | AMY1A (0.46) | CTSACYP17A1CYP11B1CYP11B2GRM2 | |
| SCHEMBL29904245 | 0.69 | AMY1A (0.46) | CTSACYP17A1CYP11B1CYP11B2GRM2 | |
| SCHEMBL16702907 | 0.64 | GSK3B (0.78) | GSK3BGSK3A | |
| SCHEMBL10340365 | 0.63 | AMY1A (0.50) | CYP3A4CYP2C9NPSR1GRM2ALDH1A1 | |
| SCHEMBL16702830 | 0.63 | GSK3B (0.68) | GSK3BGSK3ACDK2CDK5 | |
| SCHEMBL2005702 | 0.62 | GPBAR1 (0.45) | RPS6KA3GSK3BGSK3ACDK2ROCK1 | |
| SCHEMBL479982 | 0.61 | CYP2D6 (0.39) | ROCK1CYP3A4ROCK2MAPK1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3066093-B9 | GSK-3 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-02-07 | — | — | EP | disclosed |