Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 4/20 | 0.50 |
| ▸ | CCND1 | P24385 | 4/20 | 0.50 |
| ▸ | CDK2 | P24941 | 4/20 | 0.50 |
| ▸ | CCNE2 | O96020 | 3/20 | 0.50 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.50 |
| ▸ | PARP1 | P09874 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CDC25A | P30304 | 1/20 | 0.45 |
| ▸ | CDC25C | P30307 | 1/20 | 0.45 |
| ▸ | FEN1 | P39748 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.40 |
| ▸ | DDO | Q99489 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL24120952 | 1.00 | CDK4 (0.50) | CDK4CCND1CDK2CCNE2CCNE1 | |
| SCHEMBL25241379 | 0.78 | PARP1 (0.49) | CDK4CCND1CDK2CCNE2CCNE1 | |
| SCHEMBL31042184 | 0.78 | PARP1 (0.49) | CDK4CCND1CDK2CCNE2CCNE1 | |
| SCHEMBL9379915 | 0.78 | KDM4E (0.53) | CDK4CCND1CDK2CCNE2CCNE1 | |
| SCHEMBL30577459 | 0.78 | KDM4E (0.53) | CDK4CCND1CDK2CCNE2CCNE1 | |
| SCHEMBL30413756 | 0.75 | PARP1 (0.62) | PARP1KDM4EMEN1KMT2AKIF11 | |
| SCHEMBL25237804 | 0.75 | PARP1 (0.62) | PARP1KDM4EMEN1KMT2AKIF11 | |
| SCHEMBL2547904 | 0.73 | GAA (0.43) | CDK4CCND1PARP1KDM4EDAO | |
| SCHEMBL8873789 | 0.71 | KDM4E (0.67) | PARP1KDM4ECDC25ACDC25CFEN1 | |
| SCHEMBL24099148 | 0.71 | PARP1 (0.48) | CDK4CCND1CDK2CCNE2CCNE1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116075512-A | Heterocyclic compounds and imaging agents for imaging huntingtin | CHDI基金会股份有限公司 | 2023-05-05 | — | — | CN | disclosed |