Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 3/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.37 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | ATR | Q13535 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4102213 | 0.85 | ADORA2A (0.43) | MAP4K4ADORA2ANUDT1NPC1RAB9A | |
| SCHEMBL4107032 | 0.81 | ADORA2A (0.44) | MAP4K4ADORA2ANUDT1ADORA1 | |
| SCHEMBL4110182 | 0.78 | PIK3CA (0.47) | MAP4K4ADORA2ANUDT1ADORA1 | |
| SCHEMBL4100922 | 0.78 | ADORA2A (0.43) | MAP4K4ADORA2ANUDT1ADORA1DHFR | |
| SCHEMBL4106881 | 0.78 | ADORA2A (0.45) | MAP4K4ADORA2ANUDT1NPC1RAB9A | |
| SCHEMBL4103436 | 0.77 | ADORA2A (0.40) | MAP4K4ADORA2ANUDT1ADORA1 | |
| SCHEMBL4100790 | 0.76 | MAP4K4 (0.45) | MAP4K4ADORA2ANUDT1ADORA1DHFR | |
| SCHEMBL4103154 | 0.76 | ADORA2A (0.44) | MAP4K4ADORA2ANUDT1ADORA1DHFR | |
| SCHEMBL4113727 | 0.76 | MAP4K4 (0.46) | MAP4K4ADORA2ANUDT1NPC1ALDH1A1 | |
| SCHEMBL4113843 | 0.76 | ADORA2A (0.44) | MAP4K4ADORA2ANUDT1ADORA1 |
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-2008009076-A2 | SUBSTITUTED PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS FOR TREATING VIRAL INFECTIONS | GILEAD SCIENCES, INC. (US) | 2008-01-24 | — | — | WO | claimed |