Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.43 |
| ▸ | AHCY | P23526 | 4/20 | 0.43 |
| ▸ | ENPP1 | P22413 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL9685542 | 0.86 | CYP3A4 (0.45) | CYP3A4FGFR1SLC22A6ADORA2AAHCY | |
| SCHEMBL9683794 | 0.86 | CYP3A4 (0.41) | CYP3A4FGFR1SLC22A6ADORA2AAHCY | |
| SCHEMBL9857534 | 0.85 | FGFR1 (0.57) | CYP3A4FGFR1SLC22A6ADORA2AAHCY | |
| SCHEMBL9180474 | 0.81 | CYP3A4 (0.57) | CYP3A4FGFR1SLC22A6ADORA2AAHCY | |
| SCHEMBL28433552 | 0.81 | AHCY (0.60) | ADORA2AAHCYALDH1A1ADORA1 | |
| SCHEMBL9685282 | 0.81 | FGFR1 (0.53) | CYP3A4FGFR1SLC22A6ADORA2AENPP1 | |
| Ammonia Solution, Strong SCHEMBL9128718 | 0.81 | CYP3A4 (0.56) | CYP3A4FGFR1SLC22A6ADORA2AAHCY | |
| Ammonia Solution, Strong SCHEMBL9128742 | 0.81 | CYP3A4 (0.56) | CYP3A4FGFR1SLC22A6ADORA2AAHCY | |
| SCHEMBL9685592 | 0.80 | CYP3A4 (0.47) | CYP3A4FGFR1SLC22A6ADORA2AAHCY | |
| SCHEMBL6334793 | 0.80 | FGFR1 (0.61) | CYP3A4FGFR1SLC22A6ADORA2AENPP1 |
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 5 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 |
| EP-0374622-A2 | 3,4-Bis-(methylamino)-6-(2,3-dimethyl-2-butyl)-1,2,4-triazin-5(4H)-one, process for its preparation and its use as a herbicide | BAYER AG (DE) | 1990-06-27 | — | — | EP | disclosed |
| EP-0130519-A2 | 6-(2,3-Dimethyl-but-2-yl)-1,2,4-triazin-5-one derivatives | BAYER AG (DE) | 1985-01-09 | — | — | EP | disclosed |