Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.41 |
| ▸ | LDHA | P00338 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27088362 | 1.00 | MAP4K4 (0.41) | MAP4K4LDHAADORA2AADORA1BRD4 | |
| SCHEMBL29889806 | 0.87 | NOTUM (0.35) | ADORA2AADORA1 | |
| SCHEMBL29899268 | 0.79 | BRD4 (0.37) | MAP4K4BRD4 | |
| SCHEMBL29979978 | 0.79 | TP53 (0.41) | ADORA2AADORA1 | |
| SCHEMBL29979975 | 0.79 | TP53 (0.41) | ADORA2AADORA1 | |
| SCHEMBL27088387 | 0.79 | TP53 (0.41) | ADORA2AADORA1 | |
| SCHEMBL2024760 | 0.76 | — | — | |
| SCHEMBL13724458 | 0.75 | XDH (0.37) | ADORA2AADORA1 | |
| SCHEMBL22773552 | 0.73 | — | — | |
| SCHEMBL4313886 | 0.73 | METAP2 (0.50) | MAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4320109-A1 | HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER | Tolremo Therapeutics AG (CH) | 2024-02-14 | — | — | EP | disclosed |
| CN-117355512-A | Heterocyclic derivatives, pharmaceutical compositions and their use in the treatment or amelioration of cancer | 托雷莫治疗股份公司 | 2024-01-05 | — | — | CN | disclosed |
| WO-2022214606-A1 | HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND THEIR USE IN THE TREATMENT OR AMELIORATION OF CANCER | TOLREMO THERAPEUTICS AG (CH) | 2022-10-13 | — | — | WO | disclosed |