Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | DDAH1 | O94760 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL6582523 | 0.87 | DDAH1 (0.42) | CHEK1DDAH1HTR6HTTKDM4E | |
| SCHEMBL11122762 | 0.84 | CHEK1 (0.39) | CHEK1DDAH1HTR6KDM4EALDH1A1 | |
| SCHEMBL2866147 | 0.84 | AAK1 (0.38) | CHEK1HTR6PDE10A | |
| SCHEMBL11398553 | 0.81 | NPC1 (0.44) | HTTALDH1A1 | |
| SCHEMBL15767180 | 0.79 | CHEK1 (0.41) | CHEK1DDAH1HTR6HTTKDM4E | |
| SCHEMBL3857628 | 0.78 | POLB (0.47) | — | |
| SCHEMBL10690713 | 0.77 | GAA (0.47) | HTR6ALDH1A1 | |
| SCHEMBL16097301 | 0.77 | POLB (0.46) | — | |
| SCHEMBL4062820 | 0.77 | MGAM (0.51) | ALDH1A1 | |
| SCHEMBL2307747 | 0.75 | PSMB8 (0.53) | CHEK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1368342-A2 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORPORATION (US) | 2003-12-10 | — | — | EP | disclosed |
| WO-2002050062-A2 | BENZIMIDAZOLE AND PYRIDYLIMIDAZOLE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS | NEUROGEN CORPORATION (US) | 2002-06-27 | — | — | WO | disclosed |