Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 5/20 | 0.59 |
| ▸ | TLR7 | Q9NYK1 | 8/20 | 0.52 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL854178 | 0.88 | ALDH1A1 (0.51) | DHFRTLR7TLR8ADORA2AADORA1 | |
| SCHEMBL854017 | 0.86 | DHFR (0.62) | DHFRTLR7TLR8 | |
| SCHEMBL853483 | 0.86 | DHFR (0.62) | DHFRTLR7 | |
| SCHEMBL853997 | 0.84 | TLR7 (0.52) | DHFRTLR7TLR8 | |
| SCHEMBL853780 | 0.83 | DHFR (0.58) | DHFRTLR7 | |
| SCHEMBL3698261 | 0.83 | TLR7 (0.74) | DHFRTLR7TLR8 | |
| SCHEMBL853783 | 0.83 | TLR7 (0.45) | DHFRTLR7TLR8 | |
| SCHEMBL861371 | 0.82 | DHFR (0.57) | DHFRTLR7 | |
| SCHEMBL854480 | 0.81 | TLR7 (0.53) | DHFRTLR7TLR8 | |
| SCHEMBL854515 | 0.79 | TLR7 (0.52) | TLR7TLR8ADORA2AADORA2BADORA1 |
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-2432768-A1 | NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES | AstraZeneca AB (SE) | 2012-03-28 | — | — | EP | disclosed |
| WO-2010133885-A1 | NOVEL PYRIMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND FURTHER DISEASES | ASTRAZENECA AB (SE) | 2010-11-25 | — | — | WO | disclosed |