Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.47 |
| ▸ | PI4KA | P42356 | 2/20 | 0.47 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.47 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.47 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.45 |
| ▸ | AHCY | P23526 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10515307 | 0.85 | CYP3A4 (0.64) | ADORA2AADORA1CYP3A4CYP2D6 | |
| SCHEMBL10875083 | 0.84 | ADORA2A (0.49) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL9702853 | 0.83 | ADORA2A (0.55) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL12922454 | 0.78 | ADORA2A (0.55) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL12948658 | 0.78 | ADORA2A (0.52) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL10514725 | 0.77 | ADORA2A (0.54) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL15045890 | 0.77 | CYP3A4 (0.70) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL986231 | 0.77 | ADORA2A (0.56) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL10515035 | 0.76 | AHCY (0.67) | ADORA2AADORA1CYP3A4PI4KAPI4K2B | |
| SCHEMBL608687 | 0.76 | CYP3A4 (0.68) | ADORA2AADORA1CYP3A4PI4KAPI4K2B |
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 |
|---|---|---|---|---|---|---|---|
| US-4808716-A | VIRICIDES OR CHEMICAL INTERMEDIATES | CESKOSLOVENSKA AKADEMIC VED (CS) | 1989-02-28 | — | — | US | disclosed |
| EP-0206459-A2 | 9-(Phosphonylmethoxyalkyl) adenines, method for their preparation and their use | Ceskoslovenska akademie ved (CS) | 1986-12-30 | — | — | EP | disclosed |