Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 12/20 | 1.00 |
| ▸ | PRKCA | P17252 | 7/20 | 1.00 |
| ▸ | GSK3A | P49840 | 2/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | RGS12 | O14924 | 1/20 | 0.55 |
| ▸ | GMNN | O75496 | 1/20 | 0.55 |
| ▸ | USP2 | O75604 | 1/20 | 0.55 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CDK1 | P06493 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CDK4 | P11802 | 1/20 | 0.55 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.55 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL7502301 | 0.89 | GSK3B (0.80) | GSK3BPRKCAGSK3AMEN1RGS12 | |
| SCHEMBL4418475 | 0.85 | GSK3B (0.76) | GSK3BPRKCAGSK3AMEN1RGS12 | |
| SCHEMBL7498955 | 0.84 | GSK3B (0.72) | GSK3BPRKCAGSK3AMEN1RGS12 | |
| SCHEMBL6584784 | 0.83 | GSK3B (0.70) | GSK3BPRKCAGSK3ACDK4CCND1 | |
| SCHEMBL6584908 | 0.83 | GSK3B (0.72) | GSK3BPRKCA | |
| SCHEMBL7502631 | 0.81 | GSK3B (0.70) | GSK3BPRKCACDK4CCND1CDK2 | |
| SCHEMBL4420386 | 0.81 | GSK3B (0.68) | GSK3BPRKCAGSK3AMEN1RGS12 | |
| SCHEMBL8163218 | 0.81 | GSK3B (0.81) | GSK3BPRKCAGSK3AMEN1RGS12 | |
| SCHEMBL8167369 | 0.80 | GSK3B (0.74) | GSK3BPRKCAGSK3AMEN1RGS12 | |
| SCHEMBL7503653 | 0.80 | GSK3B (0.66) | GSK3BPRKCAGSK3AMEN1RGS12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023172629-A2 | ANTICANCER MALEIMIDE DERIVATIVES FOR USE WITH IMMUNE CHECKPOINT BLOCKADE | BROWN UNIVERSITY (US) | 2023-09-14 | — | — | WO | disclosed |