Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAP3K12 | Q12852 | 1/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3170604 | 0.90 | ADORA2A (0.40) | ADORA2AADORA1KDM4EMAP3K12ADORA3 | |
| SCHEMBL3163481 | 0.90 | ADORA2A (0.41) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL3162937 | 0.87 | ADORA2A (0.46) | ADORA2AADORA1KDM4EADORA3ADORA2B | |
| SCHEMBL3174310 | 0.87 | ADORA2A (0.43) | ADORA2AADORA1KDM4EMAP3K12ADORA3 | |
| SCHEMBL3174594 | 0.86 | ADORA2A (0.45) | ADORA2AADORA1KDM4EADORA3ADORA2B | |
| SCHEMBL3166225 | 0.86 | ADORA2A (0.45) | ADORA2AADORA1KDM4EADORA3ADORA2B | |
| SCHEMBL3168515 | 0.85 | ADORA1 (0.42) | ADORA2AADORA1KDM4EADORA3ADORA2B | |
| SCHEMBL3170981 | 0.85 | HTT (0.49) | NPC1RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL3161848 | 0.85 | HPGD (0.49) | POLBADORA2AADORA1KDM4EADORA3 | |
| SCHEMBL3169774 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1KDM4EADORA3ADORA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-1465631-B1 | PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE | OSI PHARM INC (US) | 2010-02-24 | — | — | EP | disclosed |