Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 6/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.34 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.34 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2849515 | 0.84 | ADA (0.41) | MAPTTHRBADORA2AADORA1HDAC1 | |
| SCHEMBL4381257 | 0.76 | HDAC1 (0.34) | ADORA2AADORA1HDAC1HDAC2 | |
| SCHEMBL2843175 | 0.73 | ADORA2A (0.49) | ADORA2AADORA1HDAC1ADORA3ADORA2B | |
| SCHEMBL14922346 | 0.63 | ADORA2A (0.62) | ALDH1A1ADORA2AADORA1HDAC1ADORA3 | |
| SCHEMBL8152568 | 0.61 | ADORA2A (0.49) | ADORA2AADORA1HDAC1ADORA3 | |
| SCHEMBL2847263 | 0.60 | ADORA2A (0.49) | ADORA2AADORA1HDAC1ADORA3 | |
| SCHEMBL15305261 | 0.58 | NR3C2 (0.36) | MAPTALDH1A1 | |
| SCHEMBL14922300 | 0.56 | TAAR1 (0.42) | MAPTALDH1A1 | |
| SCHEMBL2852875 | 0.55 | ADORA2A (0.47) | ADORA2AADRA1DADRA1AADRA1BHDAC1 | |
| SCHEMBL5201425 | 0.54 | CES2 (0.54) | MAPTTHRBALDH1A1LMNA |
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 |