Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | ALK | Q9UM73 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SCD5 | Q86SK9 | 6/20 | 0.44 |
| ▸ | SCD | O00767 | 3/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 1/20 | 0.40 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.40 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6690784 | 0.85 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BL3MBTL1 | |
| SCHEMBL7004006 | 0.84 | L3MBTL1 (0.64) | ADORA2AADORA1L3MBTL1SCD5SCD | |
| SCHEMBL6693887 | 0.81 | MEN1 (0.60) | ADORA2AADORA1ADORA3ADORA2BMEN1 | |
| SCHEMBL7096746 | 0.80 | ADORA2A (0.54) | ADORA2AADORA1ADORA3ADORA2BALK | |
| SCHEMBL7098488 | 0.79 | L3MBTL1 (0.57) | ADORA2AADORA1ADORA3ADORA2BMEN1 | |
| SCHEMBL14712472 | 0.77 | MEN1 (0.68) | ADORA2AADORA1ALKMEN1KMT2A | |
| SCHEMBL7097845 | 0.76 | ADORA2A (0.43) | ADORA2AADORA1ADORA3ADORA2BMEN1 | |
| SCHEMBL7092539 | 0.76 | ADORA2A (0.50) | ADORA2AADORA1ADORA3ADORA2BL3MBTL1 | |
| SCHEMBL6691423 | 0.76 | ADORA2A (0.48) | ADORA2AADORA1ADORA3ADORA2BMEN1 | |
| SCHEMBL983078 | 0.74 | L3MBTL1 (0.71) | ADORA2AADORA1ALKMEN1KMT2A |
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 |