Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | AHCY | P23526 | 3/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.38 |
| ▸ | CHKA | P35790 | 1/20 | 0.38 |
| ▸ | PLA2G2A | P14555 | 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 | 0.88 | BCHE (0.47) | BCHEAHCYADORA3ADORA2BCHKA | |
| SCHEMBL21116680 | 0.86 | BCHE (0.49) | BCHEADORA3ADORA2B | |
| SCHEMBL21116920 | 0.83 | AHCY (0.46) | BCHEAHCYADORA3ADORA2B | |
| SCHEMBL22110606 | 0.83 | AHCY (0.38) | AHCYCHKA | |
| SCHEMBL23992605 | 0.79 | HINT1 (0.43) | ADORA3ADORA2B | |
| SCHEMBL24057868 | 0.77 | DOT1L (0.34) | — | |
| SCHEMBL20144187 | 0.77 | DOT1L (0.34) | — | |
| SCHEMBL25718625 | 0.77 | CYP3A4 (0.41) | BCHE | |
| SCHEMBL17795723 | 0.76 | BCHE (0.46) | BCHEAHCY | |
| SCHEMBL25713619 | 0.75 | TAAR1 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3683225-A1 | NEW 2' AND/OR 5' AMINO-ACID ESTER PHOSPHORAMIDATE 3'-DEOXY ADENOSINE DERIVATIVES AS ANTI-CANCER COMPOUNDS | Nucana PLC (GB) | 2020-07-22 | — | — | EP | disclosed |
| 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 |