Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 8/20 | 0.47 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.45 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.45 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.45 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5251219 | 0.88 | EGFR (0.57) | FDPSGSK3BDYRK1AAAK1TGFBR1 | |
| SCHEMBL12127932 | 0.87 | FDPS (0.54) | FDPSGSK3BDYRK1AAAK1PIK3C3 | |
| SCHEMBL5544966 | 0.87 | CYP17A1 (0.47) | GSK3BDYRK1AAAK1TGFBR1MAP4K4 | |
| SCHEMBL5251601 | 0.86 | GSK3B (0.46) | GSK3BDYRK1AAAK1TGFBR1MAP4K4 | |
| SCHEMBL5548970 | 0.86 | ATR (0.48) | GSK3BDYRK1AAAK1MAP4K4PIK3C3 | |
| SCHEMBL9232528 | 0.85 | CYP17A1 (0.50) | GSK3BDYRK1AAAK1MAP4K4PIK3C3 | |
| SCHEMBL8675878 | 0.85 | AAK1 (0.46) | GSK3BDYRK1AAAK1MAP4K4PIK3C3 | |
| SCHEMBL828560 | 0.84 | TP53 (0.51) | — | |
| SCHEMBL29992322 | 0.84 | AAK1 (0.48) | GSK3BDYRK1AAAK1TGFBR1MAP4K4 | |
| SCHEMBL17643492 | 0.84 | AAK1 (0.48) | GSK3BDYRK1AAAK1TGFBR1MAP4K4 |
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-5854245-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0665223-A1 | Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1995-08-02 | — | — | EP | disclosed |