Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAO | P14920 | 1/20 | 0.39 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 4/20 | 0.36 |
| ▸ | SCD | O00767 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HCRTR1 | O43613 | 4/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 4/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.33 |
| ▸ | EED | O75530 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092539 | 0.75 | ADORA2A (0.50) | ADORA2ASCD5SCDALDH1A1POLB | |
| SCHEMBL6693877 | 0.75 | ALDH1A1 (0.56) | ADORA2ASCD5SCDALDH1A1POLB | |
| SCHEMBL7097845 | 0.73 | ADORA2A (0.43) | ADORA2ASCD5SCDALDH1A1POLB | |
| SCHEMBL6691423 | 0.72 | ADORA2A (0.48) | ADORA2ASCD5SCDALDH1A1POLB | |
| SCHEMBL7004006 | 0.72 | L3MBTL1 (0.64) | ADORA2ASCD5SCDALDH1A1POLB | |
| SCHEMBL4462301 | 0.70 | ADORA2A (0.70) | ADORA2AADORA1 | |
| SCHEMBL7095628 | 0.69 | BRD4 (0.49) | DAOADORA2AHCRTR1HCRTR2PIK3CD | |
| SCHEMBL7096885 | 0.68 | ADORA2A (0.52) | ADORA2ASCD5SCDADORA1ADORA3 | |
| SCHEMBL6690784 | 0.68 | ADORA2A (0.50) | ADORA2ASCD5SCDALDH1A1POLB | |
| SCHEMBL7098488 | 0.68 | L3MBTL1 (0.57) | ADORA2ASCD5SCDALDH1A1ADORA1 |
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 |