Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 18/20 | 0.52 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.50 |
| ▸ | PDE4A | P27815 | 1/20 | 0.49 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.49 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2958489 | 0.90 | ADORA2B (0.58) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL27206789 | 0.83 | ADORA2B (0.59) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL8356656 | 0.82 | ADORA2B (0.52) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL3848063 | 0.80 | ADORA2B (0.60) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL27302135 | 0.76 | ADORA2B (0.60) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL9904030 | 0.71 | ADORA2B (0.55) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL538419 | 0.71 | ADORA2B (0.57) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL1892013 | 0.71 | POLB (0.49) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL27713795 | 0.69 | SIRT1 (0.68) | ADORA2BADORA2AADORA1 | |
| SCHEMBL5935693 | 0.68 | ADORA2B (1.00) | ADORA2BADORA2AADORA3ADORA1MEN1 |
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-1636230-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | Endacea, Inc. (US) | 2006-03-22 | — | — | EP | disclosed |
| WO-2004110379-A2 | A1 ADENOSINE RECEPTOR ANTAGONISTS | ENDACEA, INC. (US) | 2004-12-23 | — | — | WO | disclosed |