Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 3/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | PDE1A | P54750 | 1/20 | 0.33 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3059749 | 0.87 | GRIN2B (0.40) | CYP11B1CYP11B2ALDH1A1NPSR1MAPT | |
| SCHEMBL3055986 | 0.85 | CYP11B2 (0.43) | CYP11B1CYP11B2ALDH1A1NPSR1MAPT | |
| SCHEMBL3072686 | 0.83 | GRIN2B (0.38) | CYP11B1CYP11B2ALDH1A1NPSR1MAPT | |
| SCHEMBL3065824 | 0.75 | CYP11B2 (0.46) | CYP11B1CYP11B2ALDH1A1NPSR1MAPT | |
| SCHEMBL3049300 | 0.74 | TP53 (0.39) | CYP11B1CYP11B2MAPTKDRGRIN2B | |
| SCHEMBL3055208 | 0.73 | MAPT (0.48) | CYP11B1CYP11B2ALDH1A1NPSR1MAPT | |
| SCHEMBL3064280 | 0.73 | CYP11B2 (0.48) | CYP11B1CYP11B2ALDH1A1NPSR1MAPT | |
| SCHEMBL3049258 | 0.73 | CYP11B1 (0.40) | CYP11B1CYP11B2ALDH1A1NPSR1MAPT | |
| SCHEMBL5763847 | 0.73 | NPSR1 (0.52) | CYP11B1ALDH1A1NPSR1MAPTKDR | |
| SCHEMBL3059559 | 0.72 | GRIN1 (0.37) | CYP11B1CYP11B2KDRGRIN2BGRIN1 |
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-1368342-B1 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORP (US) | 2005-09-07 | — | — | EP | claimed |