Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2B | P29275 | 7/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.47 |
| ▸ | PDE4A | P27815 | 3/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.47 |
| ▸ | GDA | Q9Y2T3 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.35 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.30 |
| ▸ | HBB | P68871 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL7491449 | 0.83 | ADORA2B (0.56) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL3085107 | 0.79 | ADORA2B (0.58) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL8884694 | 0.78 | ADORA2B (0.61) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL6555067 | 0.78 | ADORA2B (0.57) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL28837899 | 0.71 | ADORA2B (0.60) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL618977 | 0.71 | ADORA2B (0.64) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL7491460 | 0.70 | ADORA2B (0.70) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL18285098 | 0.70 | ADORA2A (0.55) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL8952223 | 0.70 | ADORA2A (0.55) | ADORA2BADORA2AADORA3PDE4APDE4B | |
| SCHEMBL11572222 | 0.69 | ADORA2B (0.59) | ADORA2BADORA2AADORA3PDE4APDE4B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0811623-B1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AG (DE) | 2001-04-04 | — | — | EP | disclosed |
| US-5965555-A | TREATMENT AND/OR PROPHYLAXIS OF CEREBROVASCULAR DISORDERS CHARACTERIZED BY DAMAGE CAUSED BY ISCHEMIA AND SUBSEQUENT NECROTIC DESTRUCTION OF NERVE CELLS(NEURONS) | HOECHST AKTIENGESELLSCHAFT (DE) | 1999-10-12 | — | — | US | disclosed |
| EP-0811623-A1 | Xanthine derivatives with end-aminated alkynol side chains | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-12-10 | — | — | EP | disclosed |