Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYRO3 | Q06418 | 2/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.31 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23733451 | 0.85 | KEAP1 (0.40) | TYRO3GABRG2GABRB3GABRA5PARP1 | |
| SCHEMBL20203531 | 0.80 | TLR9 (0.41) | GABRG2GABRB3GABRA5PARP1CDK4 | |
| SCHEMBL20203599 | 0.76 | CDK4 (0.36) | CDK4CDK2CDK6 | |
| SCHEMBL23733483 | 0.75 | CDK4 (0.35) | GABRG2GABRB3GABRA5CDK4CDK2 | |
| SCHEMBL20203431 | 0.74 | KEAP1 (0.41) | GABRG2GABRB3GABRA5CDK4HDAC6 | |
| SCHEMBL21414410 | 0.73 | KEAP1 (0.43) | GABRG2GABRB3GABRA5PARP1HDAC6 | |
| SCHEMBL20203643 | 0.72 | HSP90AA1 (0.40) | GABRG2GABRB3GABRA5CDK4CDK2 | |
| SCHEMBL23733474 | 0.71 | CDK1 (0.45) | PARP1CDK4CDK2CDK6 | |
| SCHEMBL20203529 | 0.71 | CDK1 (0.45) | PARP1CDK4CDK2CDK6 | |
| SCHEMBL20203457 | 0.70 | GRM5 (0.49) | GABRG2GABRB3GABRA5CDK4HDAC6 |
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-2018097297-A1 | PYRIDO[3, 4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | 帝人ファーマ株式会社 | 2018-05-31 | — | — | WO | disclosed |