Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 2/20 | 0.44 |
| ▸ | GSK3B | P49841 | 2/20 | 0.44 |
| ▸ | CDK1 | P06493 | 1/20 | 0.44 |
| ▸ | ADH5 | P11766 | 7/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | PORCN | Q9H237 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TBXAS1 | P24557 | 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 | |
|---|---|---|---|---|
| SCHEMBL2911937 | 0.91 | CDK1 (0.42) | GSK3AGSK3BCDK1CYP19A1ALDH1A1 | |
| SCHEMBL2912012 | 0.90 | GSK3A (0.41) | GSK3AGSK3BCDK1ADH5CYP19A1 | |
| SCHEMBL2913331 | 0.90 | CDK1 (0.41) | GSK3AGSK3BCDK1CYP19A1ALDH1A1 | |
| SCHEMBL2904020 | 0.89 | CDK1 (0.41) | GSK3AGSK3BCDK1CYP19A1ALDH1A1 | |
| SCHEMBL2904160 | 0.88 | GSK3A (0.41) | GSK3AGSK3BCDK1CYP19A1PORCN | |
| SCHEMBL2903846 | 0.88 | GSK3A (0.41) | GSK3AGSK3BCDK1CYP19A1PORCN | |
| SCHEMBL2909924 | 0.88 | CDK1 (0.40) | GSK3AGSK3BCDK1CYP19A1ALDH1A1 | |
| SCHEMBL2912739 | 0.88 | CDK1 (0.40) | GSK3AGSK3BCDK1CYP19A1ALDH1A1 | |
| SCHEMBL2909439 | 0.88 | CDK1 (0.40) | GSK3AGSK3BCDK1CYP19A1ALDH1A1 | |
| SCHEMBL2911880 | 0.88 | CDK1 (0.40) | GSK3AGSK3BCDK1CYP19A1ALDH1A1 |
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-1537099-B1 | PYRROLE BASED INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 | NOVARTIS VACCINES & DIAGNOSTIC (US) | 2010-08-11 | — | — | EP | disclosed |