Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | PDE8B | O95263 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 5/20 | 0.43 |
| ▸ | PI4KA | P42356 | 2/20 | 0.43 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.43 |
| ▸ | HSP90B1 | P14625 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14201625 | 0.83 | ADORA2A (0.57) | ADORA2AADORA1ADORA2BPDE8B | |
| SCHEMBL13851102 | 0.82 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BPDE8BPI4KA | |
| SCHEMBL21759036 | 0.79 | PDE8B (0.46) | ADORA2AADORA1ADORA2BALDH1A1PDE8B | |
| SCHEMBL3114003 | 0.78 | ADORA2B (0.44) | ADORA2AADORA1ADORA2BHSP90B1 | |
| SCHEMBL4315191 | 0.77 | PDE8B (0.46) | ADORA2APDE8B | |
| SCHEMBL21504439 | 0.77 | PDE8B (0.52) | ADORA2AADORA1ADORA2BPDE8BPI4KA | |
| SCHEMBL14201624 | 0.75 | PDE8B (0.44) | ADORA2APDE8B | |
| SCHEMBL24236965 | 0.75 | PDE8B (0.48) | ADORA2AADORA1ADORA2BALDH1A1PDE8B | |
| SCHEMBL21755899 | 0.74 | ADA (0.50) | ADORA2AADORA1ADORA2BALDH1A1PI4KA | |
| SCHEMBL18548741 | 0.74 | ADA (0.50) | ADORA2AADORA1ADORA2BALDH1A1PI4KA |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0831829-B1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 2003-08-20 | — | — | EP | disclosed |
| US-6395733-B1 | ANTICANCER AGENTS; ANTIPROLIFERATIVE AGENTS | PFIZER INC | 2002-05-28 | — | — | US | disclosed |
| EP-0831829-A4 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER (US) | 1998-11-25 | — | — | EP | disclosed |
| EP-0831829-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1998-04-01 | — | — | EP | disclosed |
| CN-1141298-A | Pyrimidine-fused heterocyclic compound anti-cancer agents | PFIZER (US) | 1997-01-29 | — | — | CN | disclosed |
| WO-1996040142-A1 | HETEROCYCLIC RING-FUSED PYRIMIDINE DERIVATIVES | PFIZER INC. (US) | 1996-12-19 | — | — | WO | disclosed |