Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | STK17B | O94768 | 1/20 | 0.46 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.46 |
| ▸ | MALT1 | Q9UDY8 | 1/20 | 0.44 |
| ▸ | LATS1 | O95835 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 4/20 | 0.42 |
| ▸ | SUV39H2 | Q9H5I1 | 4/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL27260591 | 0.85 | BCHE (0.46) | BCHESTK17BSTK17AMALT1LATS1 | |
| SCHEMBL22790866 | 0.82 | NQO2 (0.48) | BCHESTK17BSTK17AIDO1 | |
| SCHEMBL20763761 | 0.79 | PDCD1LG2 (0.46) | IDO1 | |
| SCHEMBL21207106 | 0.79 | BRD4 (0.48) | BRD4TDP1 | |
| SCHEMBL30913744 | 0.79 | BRD4 (0.48) | BRD4TDP1 | |
| SCHEMBL28404848 | 0.76 | KDM4E (0.40) | TDP1 | |
| SCHEMBL23552719 | 0.76 | SUV39H2 (0.52) | BCHESTK17BSTK17AMALT1LATS1 | |
| SCHEMBL30597277 | 0.76 | MALT1 (0.57) | BCHESTK17BSTK17AMALT1BRD4 | |
| SCHEMBL988485 | 0.76 | MALT1 (0.57) | BCHESTK17BSTK17AMALT1BRD4 | |
| SCHEMBL20884449 | 0.75 | IDO1 (0.46) | BCHESTK17BSTK17AMALT1BRD4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019079373-A1 | PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-04-25 | — | — | WO | disclosed |