Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
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 | 0.92 | CDK1 (0.42) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2904020 | 0.90 | CDK1 (0.41) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2911880 | 0.89 | CDK1 (0.40) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2912739 | 0.89 | CDK1 (0.40) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2907194 | 0.89 | CDK1 (0.42) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2909662 | 0.88 | GSK3A (0.44) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2909924 | 0.88 | CDK1 (0.40) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2909663 | 0.87 | L3MBTL1 (0.39) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2913331 | 0.87 | CDK1 (0.41) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 | |
| SCHEMBL2912330 | 0.87 | CDK1 (0.40) | CDK1GSK3AGSK3BCYP19A1ALDH1A1 |
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 |