Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 4/20 | 0.53 |
| ▸ | MAT2A | P31153 | 1/20 | 0.49 |
| ▸ | MTOR | P42345 | 3/20 | 0.47 |
| ▸ | ATR | Q13535 | 1/20 | 0.46 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.42 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12138058 | 0.88 | CYP19A1 (0.50) | PIK3CAMAT2AMTORADORA1ADORA2A | |
| SCHEMBL12137720 | 0.83 | PIK3CA (0.45) | PIK3CAMTORADORA1ADORA2A | |
| SCHEMBL6818139 | 0.78 | ADORA1 (0.66) | ADORA1ADORA2AJAK2 | |
| SCHEMBL2323274 | 0.78 | ADORA1 (0.61) | ATRADORA1ADORA2A | |
| SCHEMBL4107625 | 0.75 | ATR (0.48) | PIK3CAMTORATRADORA1ADORA2A | |
| SCHEMBL3455655 | 0.75 | ADORA2B (0.47) | PIK3CAATRADORA1ADORA2AJAK2 | |
| SCHEMBL12137956 | 0.75 | PIK3CA (0.44) | PIK3CAMTORALDH1A1 | |
| SCHEMBL1422182 | 0.73 | HSD17B1 (0.67) | PIK3CAATRADORA1ADORA2ANPC1 | |
| SCHEMBL1013776 | 0.72 | PIK3CA (0.50) | PIK3CAMTORADORA1ADORA2AJAK2 | |
| SCHEMBL12137559 | 0.71 | ADORA1 (0.43) | PIK3CAMTORADORA1ADORA2ANPC1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004016605-A1 | 2-AMINOPYRIMIDINE DERIVATIVES AS ADENOSINE A1 AND A2A RECEPTOR ANTAGONISTS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-02-26 | — | — | WO | disclosed |