Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.40 |
| ▸ | AHCY | P23526 | 1/20 | 0.40 |
| ▸ | PI4KA | P42356 | 2/20 | 0.39 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.39 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.39 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.39 |
| ▸ | ADA | P00813 | 4/20 | 0.39 |
| ▸ | PDE2A | O00408 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9684215 | 0.88 | ADORA2A (0.40) | CYP3A4ADORA2AADORA1AHCYPI4KA | |
| SCHEMBL9857545 | 0.87 | SLC22A6 (0.44) | CYP3A4ADORA2AADORA1AHCYCYP2D6 | |
| SCHEMBL9685561 | 0.86 | CYP3A4 (0.47) | CYP3A4ADORA2AADORA1AHCYALDH1A1 | |
| SCHEMBL20509334 | 0.83 | ADORA2A (0.58) | CYP3A4ADORA2AADORA1AHCYPI4KA | |
| SCHEMBL20509286 | 0.83 | ADORA2A (0.58) | CYP3A4ADORA2AADORA1AHCYPI4KA | |
| SCHEMBL9683749 | 0.82 | FGFR1 (0.42) | CYP3A4ADORA2AADORA1AHCYPI4KA | |
| SCHEMBL9685082 | 0.82 | ABCB11 (0.35) | CYP3A4ADORA2AADORA1PI4KAPI4K2B | |
| SCHEMBL9683747 | 0.81 | ADORA2A (0.43) | CYP3A4ADORA2AADORA1PI4KAPI4K2B | |
| SCHEMBL9683433 | 0.81 | FAP (0.35) | CYP3A4ADORA2AADORA1PI4KAPI4K2B | |
| SCHEMBL9683437 | 0.81 | CYP3A4 (0.43) | CYP3A4ADORA2AADORA1PI4KAPI4K2B |
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-0404296-A1 | Phosphono derivatives of purine with antiviral activity | Beecham Group p.l.c. (GB) | 1990-12-27 | — | — | EP | claimed |
| US-5166198-A | Herpes virus infections | BEECHAM P.L.C. (GB) | 1992-11-24 | — | — | US | disclosed |
| EP-0404296-A1 | Phosphono derivatives of purine with antiviral activity | Beecham Group p.l.c. (GB) | 1990-12-27 | — | — | EP | disclosed |