Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 14/20 | 0.56 |
| ▸ | CDK2 | P24941 | 3/20 | 0.53 |
| ▸ | GSK3A | P49840 | 2/20 | 0.53 |
| ▸ | CDK4 | P11802 | 2/20 | 0.53 |
| ▸ | CCND1 | P24385 | 2/20 | 0.53 |
| ▸ | CDK1 | P06493 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | RGS12 | O14924 | 1/20 | 0.53 |
| ▸ | GMNN | O75496 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL7524580 | 0.90 | GSK3B (0.58) | GSK3BCDK2GSK3ACDK4CCND1 | |
| SCHEMBL7530443 | 0.88 | GSK3B (0.72) | GSK3BCDK2CDK4CCND1CDK1 | |
| SCHEMBL7977136 | 0.88 | GSK3B (0.57) | GSK3BCDK2CDK4CCND1CDK1 | |
| SCHEMBL7976571 | 0.87 | GSK3B (0.56) | GSK3BCDK2CDK4CCND1CDK1 | |
| SCHEMBL7976579 | 0.87 | GSK3B (0.56) | GSK3BCDK2CDK4CCND1CDK1 | |
| SCHEMBL7976484 | 0.85 | GSK3B (0.54) | GSK3BCDK2CDK4CCND1PRKCA | |
| SCHEMBL7987080 | 0.85 | GSK3B (0.54) | GSK3BCDK2CDK4CCND1CDK1 | |
| SCHEMBL7526149 | 0.85 | GSK3B (0.53) | GSK3BCDK2CDK4CCND1CDK1 | |
| SCHEMBL7976559 | 0.84 | GSK3B (0.53) | GSK3BCDK2CDK4CCND1CDK1 | |
| SCHEMBL7990781 | 0.83 | IDH1 (0.56) | GSK3BCDK2GSK3ACDK4CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6281356-B1 | ANTICANRCER AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | claimed |
| US-6281356-B1 | ANTICANRCER AGENTS | HOFFMANN-LA ROCHE INC. | 2001-08-28 | — | — | US | disclosed |