Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHCY | P23526 | 8/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.40 |
| ▸ | PDE8B | O95263 | 1/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8910616 | 0.83 | CYP3A4 (0.51) | AHCYADORA2APDE8BCYP3A4 | |
| SCHEMBL8911175 | 0.80 | ADORA2A (0.31) | AHCYADORA2AADORA1 | |
| SCHEMBL8357826 | 0.79 | ADORA2A (0.59) | AHCYADORA2APDE8BADORA1ADORA2B | |
| SCHEMBL8357822 | 0.79 | ADORA2A (0.59) | AHCYADORA2APDE8BADORA1ADORA2B | |
| SCHEMBL99603 | 0.79 | AHCY (0.64) | AHCYADORA2AADORA1ADORA2BCYP3A4 | |
| SCHEMBL6363452 | 0.79 | AHCY (0.64) | AHCYADORA2AADORA1ADORA2BCYP3A4 | |
| SCHEMBL8418894 | 0.76 | ADORA2A (0.66) | AHCYADORA2AADORA1ADORA2B | |
| SCHEMBL21504439 | 0.70 | PDE8B (0.52) | AHCYADORA2APDE8BADORA1ADORA2B | |
| SCHEMBL7267515 | 0.70 | CYP3A4 (0.67) | CYP3A4 | |
| SCHEMBL7267499 | 0.70 | CYP3A4 (0.67) | CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE35558-E | (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) | 1997-07-08 | — | — | US | disclosed |
| US-5130427-A | Viricides formed by etherification, esterification and reaction with a phosphonate containing compound | CESKOSLOVENSKA AKADEMIE VED (CS) | 1992-07-14 | — | — | US | disclosed |
| EP-0470809-A1 | Antiviral nucleosides, compounds useful in their preparation and processes of making them | Ceskoslovenska akademie ved (CS) | 1992-02-12 | — | — | EP | disclosed |