Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 11/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 8/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.39 |
| ▸ | VNN1 | O95497 | 6/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4722068 | 0.92 | TBK1 (0.37) | CYP1A2CYP3A4HSD17B10CLK4ALDH1A1 | |
| SCHEMBL386908 | 0.89 | NAMPT (0.47) | CYP1A2CYP3A4HSD17B10CLK4ALDH1A1 | |
| SCHEMBL27939028 | 0.85 | ALDH1A1 (0.37) | CYP1A2CYP3A4HSD17B10CLK4ALDH1A1 | |
| SCHEMBL1070120 | 0.85 | NAMPT (0.43) | CYP1A2CYP3A4HSD17B10CLK4ALDH1A1 | |
| SCHEMBL4720569 | 0.84 | TBK1 (0.40) | TBK1NAMPT | |
| SCHEMBL4721758 | 0.83 | PDE5A (0.39) | HSD17B10CLK4ALDH1A1ALOX15KDM4E | |
| SCHEMBL386220 | 0.81 | TBK1 (0.44) | CYP3A4CYP2D6CYP2C9TBK1NAMPT | |
| SCHEMBL4721984 | 0.81 | HTR2C (0.40) | CYP1A2CYP3A4CLK4CYP2D6TBK1 | |
| SCHEMBL1846698 | 0.80 | NAMPT (0.46) | CYP1A2CYP3A4HSD17B10CLK4ALDH1A1 | |
| SCHEMBL4718846 | 0.80 | GPR119 (0.35) | CYP1A2TBK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1756084-B1 | SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO | ARENA PHARM INC (US) | 2008-11-26 | — | — | EP | claimed |