Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.62 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ACP1 | P24666 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MPO | P05164 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.43 |
| ▸ | CLK2 | P49760 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | CD38 | P28907 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 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 | |
|---|---|---|---|---|
| SCHEMBL2450873 | 0.80 | CLK4 (0.50) | NCF1MEN1KMT2ANPC1BCHE | |
| SCHEMBL30148165 | 0.80 | CLK4 (0.50) | NCF1MEN1KMT2ANPC1BCHE | |
| SCHEMBL31410965 | 0.78 | APP (0.60) | NCF1NPC1BCHEACHEAPP | |
| SCHEMBL3391705 | 0.77 | APP (0.61) | NCF1NPC1APPHTT | |
| SCHEMBL31361060 | 0.74 | CD38 (0.52) | NCF1MEN1KMT2AACP1GAA | |
| SCHEMBL23015389 | 0.73 | PDE5A (0.50) | NCF1MEN1KMT2AACP1NPC1 | |
| SCHEMBL29692343 | 0.73 | PDE5A (0.50) | NCF1MEN1KMT2AACP1NPC1 | |
| SCHEMBL9683167 | 0.73 | HTT (0.51) | NCF1MEN1KMT2AACP1NPC1 | |
| SCHEMBL7169729 | 0.72 | MAPT (0.54) | NPC1APPMAPTRAB9AL3MBTL1 | |
| SCHEMBL4315483 | 0.72 | NCF1 (0.53) | NCF1MEN1KMT2AACP1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-114276349-B | 2-aminopterine derivatives or salts thereof, and preparation method and application thereof | 复旦大学 | 2024-04-09 | — | — | CN | disclosed |
| CN-114276349-A | 2-aminopteridinone derivative or salt thereof, and preparation method and application thereof | 复旦大学 | 2022-04-05 | — | — | CN | disclosed |