Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHCY | P23526 | 4/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | DOT1L | Q8TEK3 | 4/20 | 0.43 |
| ▸ | NT5E | P21589 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | TRPM2 | O94759 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL23394234 | 0.91 | BCHE (0.47) | AHCYBCHEADORA3ADORA2BTRPM2 | |
| SCHEMBL22238387 | 0.91 | AHCY (0.42) | AHCYBCHEDOT1LNT5E | |
| SCHEMBL22238375 | 0.90 | AHCY (0.43) | AHCYBCHEDOT1LNT5E | |
| SCHEMBL21116680 | 0.88 | BCHE (0.49) | BCHEADORA3ADORA2B | |
| SCHEMBL21116657 | 0.83 | BCHE (0.47) | AHCYBCHEADORA3ADORA2B | |
| SCHEMBL24162699 | 0.82 | AHCY (0.42) | AHCYBCHEDOT1LTRPM2 | |
| SCHEMBL21116859 | 0.81 | NT5E (0.41) | NT5E | |
| SCHEMBL9813105 | 0.80 | AHCY (0.57) | AHCYBCHEDOT1LNT5E | |
| SCHEMBL22508594 | 0.80 | DOT1L (0.47) | AHCYBCHEDOT1LNT5ETRPM2 | |
| SCHEMBL21958757 | 0.78 | CYP1A2 (0.40) | BCHEADORA3ADORA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3224268-B1 | NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS | NuCana plc (GB) | 2019-06-26 | — | — | EP | disclosed |