Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNA2 | P20248 | 10/20 | 0.39 |
| ▸ | CDK2 | P24941 | 10/20 | 0.39 |
| ▸ | CCNA1 | P78396 | 10/20 | 0.39 |
| ▸ | AURKA | O14965 | 7/20 | 0.39 |
| ▸ | BRD4 | O60885 | 2/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL20818349 | 0.85 | CREBBP (0.44) | BRD4CREBBPEP300HCAR2KMT2A | |
| SCHEMBL17317850 | 0.85 | P2RX7 (0.39) | CCNA2CDK2CCNA1AURKABRD4 | |
| SCHEMBL1704668 | 0.79 | CCNA2 (0.42) | CCNA2CDK2CCNA1AURKABRD4 | |
| SCHEMBL2387629 | 0.79 | CCNA2 (0.39) | CCNA2CDK2CCNA1AURKABRD4 | |
| SCHEMBL5720844 | 0.77 | NR1H2 (0.40) | CCNA2CDK2CCNA1AURKA | |
| SCHEMBL5720833 | 0.77 | CCNA2 (0.49) | CCNA2CDK2CCNA1AURKA | |
| SCHEMBL18880484 | 0.73 | MAPK1 (0.47) | CCNA2CDK2CCNA1AURKABRD4 | |
| SCHEMBL28378565 | 0.73 | — | — | |
| SCHEMBL21995408 | 0.73 | LMNA (0.42) | CCNA2CDK2CCNA1AURKAKMT2A | |
| SCHEMBL28739856 | 0.72 | BRD4 (0.61) | CCNA2CDK2CCNA1AURKABRD4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108473502-B | 4, 6-dihydropyrrolo [3,4-C ] pyrazole-5 (1H) -carbonitrile derivatives for the treatment of cancer | 特殊治疗有限公司 | 2022-04-26 | — | — | CN | disclosed |
| EP-3887371-A1 | ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | F. Hoffmann-La Roche AG (CH) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020109191-A1 | ARYL COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION | F. HOFFMANN-LA ROCHE AG (CH) | 2020-06-04 | — | — | WO | disclosed |