Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2850900 | 0.78 | HDAC1 (0.44) | HDAC1HDAC2HDAC6HDAC4 | |
| SCHEMBL2849515 | 0.78 | ADA (0.41) | HDAC1HDAC2ADORA2AADORA1 | |
| SCHEMBL4381259 | 0.76 | MAPT (0.37) | HDAC1HDAC2ADORA2AADORA1 | |
| SCHEMBL2843175 | 0.69 | ADORA2A (0.49) | HDAC1ADORA2AADORA1 | |
| SCHEMBL28806935 | 0.61 | ADORA2A (0.43) | HDAC1ADORA2A | |
| SCHEMBL14019391 | 0.60 | ADORA2A (0.50) | HDAC1ADORA2AADORA1 | |
| SCHEMBL27932477 | 0.59 | PIK3CA (0.34) | ADORA2APIK3CA | |
| SCHEMBL27932436 | 0.59 | ADORA2A (0.34) | HDAC1ADORA2APIK3CAMTOR | |
| SCHEMBL27914295 | 0.59 | ADORA2A (0.35) | HDAC1ADORA2A | |
| SCHEMBL14922346 | 0.58 | ADORA2A (0.62) | HDAC1ADORA2AADORA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2129220-A2 | ADENOSINE A2A RECEPTOR ANTAGONISTS | King Pharmaceuticals Research and Development Inc. (US) | 2009-12-09 | — | — | EP | disclosed |
| WO-2008121748-A2 | ADENOSINE A2A RECEPTOR ANTAGONISTS | KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT,INC. (US) | 2008-10-09 | — | — | WO | disclosed |