Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | ATR | Q13535 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | BLK | P51451 | 1/20 | 0.45 |
| ▸ | BTK | Q06187 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL22573335 | 0.90 | ADORA2A (0.59) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573617 | 0.89 | ATR (0.62) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573478 | 0.88 | ADORA1 (0.55) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573576 | 0.88 | ADORA3 (0.57) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573625 | 0.88 | ADORA3 (0.60) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573393 | 0.88 | KMT2A (0.55) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573464 | 0.88 | ADORA2A (0.57) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573626 | 0.86 | ADORA3 (0.58) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573500 | 0.84 | ADORA2A (0.70) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL22573552 | 0.84 | ADORA2A (0.66) | ADORA3ADORA2AADORA1ADORA2BHSD17B10 |
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 |