Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 6/20 | 0.57 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | AOC1 | P19801 | 1/20 | 0.38 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.38 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | PRKCI | P41743 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL3060454 | 0.91 | BACE1 (0.61) | BACE1SHMT2IDO1GRM5NOS2 | |
| SCHEMBL19897481 | 0.75 | BACE1 (0.54) | BACE1SHMT2NOS2NOS3NOS1 | |
| Pyridine SCHEMBL27655099 | 0.74 | NOS3 (0.46) | BACE1SHMT2NOS2NOS3NOS1 | |
| SCHEMBL4711248 | 0.73 | BACE1 (0.53) | BACE1SHMT2NOS2NOS3NOS1 | |
| Pyridine SCHEMBL7022106 | 0.73 | AOC1 (0.53) | NOS2NOS3NOS1AOC1AOC3 | |
| Pyridine SCHEMBL7795579 | 0.72 | ROCK2 (0.43) | IDO1POLBKDM4EALDH1A1MAPT | |
| SCHEMBL11069733 | 0.72 | BACE1 (1.00) | BACE1SHMT2LTA4HMAPK14KDM4E | |
| SCHEMBL8508286 | 0.71 | GRM5 (0.51) | BACE1IDO1GRM5AOC1AOC3 | |
| SCHEMBL20697220 | 0.70 | IDO1 (0.45) | IDO1GRM5POLBALDH1A1MAPT | |
| SCHEMBL11623989 | 0.70 | IDO1 (0.45) | BACE1IDO1GRM5AOC1AOC3 |
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 |