Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.55 |
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.48 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | GFER | P55789 | 1/20 | 0.42 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.42 |
| ▸ | PDK2 | Q15119 | 2/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.39 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.39 |
| ▸ | PI4KA | P42356 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29871286 | 0.77 | SCD5 (0.51) | SCD5ADORA3ADORA2AADORA1LRRK2 | |
| SCHEMBL7097845 | 0.73 | ADORA2A (0.43) | SCD5ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL21523618 | 0.72 | SCD5 (1.00) | SCD5NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL7004006 | 0.71 | L3MBTL1 (0.64) | SCD5ADORA2AADORA1NPC1RAB9A | |
| SCHEMBL23212532 | 0.71 | SCD5 (0.98) | SCD5NPC1RAB9AALDH1A1HPGD | |
| SCHEMBL6691423 | 0.69 | ADORA2A (0.48) | SCD5ADORA3ADORA2AADORA1ADORA2B | |
| SCHEMBL2949805 | 0.69 | PIK3CA (0.47) | SCD5LRRK2NPC1RAB9APDK2 | |
| SCHEMBL18985448 | 0.69 | PIK3CD (0.56) | ADORA2ALRRK2NPC1RAB9APDK2 | |
| SCHEMBL20312848 | 0.68 | PDK2 (0.47) | LRRK2NPC1RAB9APDK2PIK3CD | |
| SCHEMBL19049794 | 0.68 | LRRK2 (0.45) | SCD5LRRK2NPC1RAB9APDK2 |
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 |