Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.45 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | SCD | O00767 | 2/20 | 0.40 |
| ▸ | SCD5 | Q86SK9 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.37 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6694921 | 0.78 | ALDH1A1 (0.57) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL7094501 | 0.72 | ALDH1A1 (0.56) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL6693877 | 0.72 | ALDH1A1 (0.56) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL15014102 | 0.72 | L3MBTL1 (0.63) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL3091005 | 0.72 | ALDH1A1 (0.63) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL3085251 | 0.72 | ALDH1A1 (0.63) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL15520765 | 0.71 | ALDH1A1 (1.00) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL15544649 | 0.71 | ALDH1A1 (0.67) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL16095711 | 0.71 | ALDH1A1 (0.67) | L3MBTL1ALDH1A1MAPTPKMALK | |
| SCHEMBL7095280 | 0.71 | ALDH1A1 (0.67) | L3MBTL1ALDH1A1MAPTPKMALK |
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 |
|---|---|---|---|---|---|---|---|
| EP-1349552-A1 | PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2003-10-08 | — | — | EP | disclosed |
| WO-2002055082-A1 | PYRAZOLO[3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS | VERNALIS RESEARCH LIMITED (GB) | 2002-07-18 | — | — | WO | disclosed |