Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.38 |
| ▸ | XBP1 | P17861 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | DAO | P14920 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4636772 | 0.79 | ALDH1A1 (0.42) | HPGDALDH1A1NPSR1KDM4EKMT2A | |
| SCHEMBL4637375 | 0.77 | ADORA2A (0.41) | HPGDALDH1A1NPSR1KDM4EADORA3 | |
| SCHEMBL2540252 | 0.75 | ADORA1 (0.67) | ADORA3ADORA2BADORA2AADORA1PCSK9 | |
| SCHEMBL2541029 | 0.73 | ADORA1 (0.59) | ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL2537944 | 0.71 | ADORA1 (0.44) | ADORA3ADORA2BADORA2AADORA1 | |
| SCHEMBL4637264 | 0.71 | MAOB (0.47) | ALDH1A1ADORA3KMT2AMEN1ADORA2A | |
| SCHEMBL4636181 | 0.71 | ADORA2A (0.55) | ADORA3ADORA2BADORA2AADORA1CYP2C9 | |
| SCHEMBL2537017 | 0.71 | KDM4E (0.47) | HPGDALDH1A1NPSR1KDM4EADORA3 | |
| SCHEMBL2537627 | 0.70 | ADORA1 (0.57) | ADORA2BADORA2AADORA1 | |
| SCHEMBL2539378 | 0.70 | ADORA1 (0.56) | ADORA3ADORA2BADORA2AADORA1 |
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 |