Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 5/20 | 0.71 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.59 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.59 |
| ▸ | GSK3A | P49840 | 4/20 | 0.58 |
| ▸ | TBK1 | Q9UHD2 | 7/20 | 0.57 |
| ▸ | AURKA | O14965 | 4/20 | 0.53 |
| ▸ | IGF1R | P08069 | 1/20 | 0.53 |
| ▸ | SYK | P43405 | 1/20 | 0.53 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.51 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6674350 | 0.85 | GSK3B (0.55) | GSK3BCHEK1NTRK2GSK3ATBK1 | |
| SCHEMBL5262926 | 0.84 | GSK3B (0.81) | GSK3BCHEK1NTRK2GSK3AAURKA | |
| SCHEMBL5262378 | 0.84 | GSK3B (1.00) | GSK3BCHEK1NTRK2GSK3AAURKA | |
| Hydrochloric Acid SCHEMBL6676130 | 0.81 | GSK3B (0.72) | GSK3BCHEK1NTRK2GSK3AAURKA | |
| SCHEMBL5260463 | 0.81 | GSK3B (0.79) | GSK3BCHEK1NTRK2GSK3AAURKA | |
| Trifluoroacetic Acid SCHEMBL6678608 | 0.79 | GSK3B (0.76) | GSK3BNTRK2GSK3AAURKAIGF1R | |
| SCHEMBL5260063 | 0.77 | TBK1 (0.63) | GSK3BTBK1AURKAIGF1RSYK | |
| Trifluoroacetic Acid SCHEMBL6678359 | 0.77 | AURKA (0.61) | GSK3BGSK3AAURKA | |
| SCHEMBL6701811 | 0.76 | GSK3B (0.64) | GSK3BCHEK1NTRK2GSK3AAURKA | |
| SCHEMBL5260652 | 0.76 | TBK1 (0.61) | GSK3BTBK1AURKAPDPK1 |
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-2004039359-A2 | USE OF PYRIMIDINE DERIVATES FOR THE MANIFACTURE OF A MEDICAMENT FOR THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2004-05-13 | — | — | WO | claimed |