Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH3 | Q9ULD8 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 6/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.38 |
| ▸ | USP2 | O75604 | 3/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | BCDIN3D | Q7Z5W3 | 1/20 | 0.36 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.36 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8285182 | 0.83 | PDE11A (0.39) | CYP1A2CYP3A4ALDH1A1USP2CLK4 | |
| SCHEMBL5872005 | 0.81 | MAT2A (0.43) | CYP1A2CYP3A4ALDH1A1CYP2C19USP2 | |
| SCHEMBL8285203 | 0.80 | PDE11A (0.41) | KCNH3CYP1A2CYP3A4ALDH1A1CYP2C19 | |
| SCHEMBL5872009 | 0.79 | PDE11A (0.44) | CYP1A2CYP3A4ALDH1A1CYP2C19USP2 | |
| SCHEMBL5871661 | 0.79 | PDE11A (0.42) | CYP1A2CYP3A4ALDH1A1PDE11AMAPK1 | |
| SCHEMBL8287374 | 0.78 | PDE11A (0.40) | ALDH1A1PDE11AMAPTALDH1A2ALDH1A3 | |
| SCHEMBL5872062 | 0.77 | PDE11A (0.44) | ALDH1A1PDE11AMAPK1MAPTALDH1A2 | |
| SCHEMBL8285172 | 0.76 | PDE11A (0.40) | ALDH1A1PDE11AMAPK1ALDH1A2ALDH1A3 | |
| SCHEMBL8287521 | 0.76 | PDE11A (0.40) | CYP1A2ALDH1A1PDE11AMAPK1ALDH1A2 | |
| SCHEMBL8286423 | 0.76 | KCNH3 (0.42) | KCNH3CYP1A2CYP3A4ALDH1A1CYP2C19 |
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 |