Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.34 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.33 |
| ▸ | PKLR | P30613 | 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 | |
|---|---|---|---|---|
| SCHEMBL4765708 | 1.00 | TP53 (0.41) | TP53ADORA2BADORA2AADORA1MAPT | |
| SCHEMBL4771531 | 0.93 | ADORA2B (0.38) | TP53ADORA2BADORA2AADORA1MAPT | |
| SCHEMBL4771549 | 0.93 | ADORA2B (0.38) | TP53ADORA2BADORA2AADORA1MAPT | |
| SCHEMBL4763171 | 0.90 | ADORA2B (0.43) | TP53ADORA2BADORA2AADORA1MAPT | |
| SCHEMBL4763165 | 0.90 | ADORA2B (0.43) | TP53ADORA2BADORA2AADORA1MAPT | |
| SCHEMBL4764053 | 0.89 | ALDH1A1 (0.41) | TP53ADORA2BADORA2AADORA1MAPT | |
| SCHEMBL4763441 | 0.88 | TP53 (0.34) | TP53ADORA2BADORA2AADORA1MAPT | |
| SCHEMBL4763896 | 0.88 | ADORA2B (0.46) | ADORA2BADORA2AADORA1MAPTL3MBTL1 | |
| SCHEMBL4763889 | 0.88 | ADORA2B (0.46) | ADORA2BADORA2AADORA1MAPTL3MBTL1 | |
| SCHEMBL4771427 | 0.87 | ADORA2B (0.41) | TP53ADORA2BADORA2AADORA1MAPT |
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-1678181-B1 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS INC (US) | 2008-12-31 | — | — | EP | disclosed |