Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP9 | P14780 | 1/20 | 0.31 |
| ▸ | GLP1R | P43220 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 2/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | XBP1 | P17861 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4636260 | 0.85 | HPGD (0.34) | ADORA3ALDH1A1HPGDKDM4EMMP13 | |
| SCHEMBL4636264 | 0.74 | ADORA1 (0.49) | ADORA3ADORA2B | |
| SCHEMBL4637375 | 0.73 | ADORA2A (0.41) | ADORA3ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL4637377 | 0.65 | HPGD (0.40) | ADORA3ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL12233261 | 0.64 | ADORA3 (0.38) | ADORA3ADORA2B | |
| SCHEMBL2541476 | 0.63 | ADORA2A (0.40) | ADORA3ADORA2B | |
| SCHEMBL2537944 | 0.62 | ADORA1 (0.44) | ADORA3GRM5ADORA2B | |
| SCHEMBL5789117 | 0.62 | ALDH1A1 (0.51) | ADORA3ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL2548492 | 0.62 | ADORA1 (0.57) | ADORA3ADORA2B | |
| SCHEMBL2539378 | 0.62 | ADORA1 (0.56) | ADORA3ADORA2B |
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-1939197-A1 | 8-ethinylxanthine derivatives as selective A2A receptor antagonists | SCHWARZ PHARMA AG (DE) | 2008-07-02 | — | — | EP | disclosed |