Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 3/20 | 0.40 |
| ▸ | CDK4 | P11802 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCND2 | P30279 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | MAT2A | P31153 | 2/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | BUB1 | O43683 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CXCR2 | P25025 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | PDE4A | P27815 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8285354 | 0.93 | GSK3B (0.39) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8287541 | 0.89 | GSK3B (0.41) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8286159 | 0.88 | GSK3B (0.39) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8287492 | 0.87 | GSK3B (0.40) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL6529785 | 0.84 | SMN1; SMN2 (0.40) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8287580 | 0.84 | GSK3B (0.38) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8285349 | 0.82 | GSK3B (0.36) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8358810 | 0.82 | GSK3B (0.36) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8288002 | 0.82 | GSK3B (0.36) | GSK3BCDK4CCND1CCND2CCND3 | |
| SCHEMBL8286206 | 0.81 | NPC1 (0.38) | GSK3BGAACYP1A2ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005091857-A2 | 1,6-NAPHTHYRIDINE AND 1,8-NAPHTHYRIDINE DERIVATIVES AND THEIR USE TO TREAT DIABETES AND RELATED DISORDERS | BAYER PHARMACEUTICALS CORPORATION (US) | 2005-10-06 | — | — | WO | disclosed |
| WO-2003027112-A1 | 1, 8-NAPHTHYRIDINE DERIVATIVES AS ANTIDIABETICS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |