Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 8/20 | 0.66 |
| ▸ | ADORA1 | P30542 | 8/20 | 0.66 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.66 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.66 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | APEX1 | P27695 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22574015 | 0.88 | ADORA3 (0.63) | ADORA2AADORA1ADORA3ADORA2BRXFP1 | |
| SCHEMBL22573768 | 0.87 | ADORA2A (0.65) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL22573404 | 0.85 | ADORA2A (0.71) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL22574016 | 0.84 | ADORA3 (0.58) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL22573552 | 0.84 | ADORA2A (0.66) | ADORA2AADORA1ADORA3ADORA2BTDP1 | |
| SCHEMBL22573408 | 0.84 | ADORA3 (0.60) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL22573625 | 0.83 | ADORA3 (0.60) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL22573464 | 0.83 | ADORA2A (0.57) | ADORA2AADORA1ADORA3ADORA2BRXFP1 | |
| SCHEMBL22573335 | 0.83 | ADORA2A (0.59) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 | |
| SCHEMBL22573617 | 0.82 | ATR (0.62) | ADORA2AADORA1ADORA3ADORA2BALDH1A1 |
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-3728236-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE USE FOR THE TREATMENT OF CANCER | Adorx therapeutics Limited (GB) | 2020-10-28 | — | — | EP | claimed |
| EP-3728236-A1 | PYRIMIDINE DERIVATIVES AND THEIR USE USE FOR THE TREATMENT OF CANCER | Adorx therapeutics Limited (GB) | 2020-10-28 | — | — | EP | disclosed |