Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC1 | P19801 | 5/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 5/20 | 0.53 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.41 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 3/20 | 0.39 |
| ▸ | KDM6B | O15054 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | PLEC | Q15149 | 1/20 | 0.37 |
| ▸ | LATS1 | O95835 | 1/20 | 0.36 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 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 | |
|---|---|---|---|---|
| SCHEMBL2268998 | 0.91 | AOC1 (0.61) | AOC1AOC3MKNK1MKNK2KDM4C | |
| SCHEMBL3068769 | 0.77 | KDM4C (0.57) | AOC1AOC3KDM4CKDM6BGAA | |
| SCHEMBL9329604 | 0.77 | AOC1 (0.56) | AOC1AOC3MKNK1MKNK2GAA | |
| SCHEMBL30703857 | 0.77 | AOC1 (0.56) | AOC1AOC3MKNK1MKNK2GAA | |
| SCHEMBL16489591 | 0.75 | KDM4C (0.60) | MKNK2KDM4CKDM6BKDM4EALDH1A1 | |
| Pyridine SCHEMBL7017428 | 0.73 | BACE1 (0.57) | AOC1AOC3MKNK1MKNK2GAA | |
| SCHEMBL26922525 | 0.73 | LTA4H (0.56) | KDM4CKDM6BKDM4EALDH1A1MAPT | |
| Amifampridine SCHEMBL8371839 | 0.72 | GAA (0.48) | AOC1AOC3MKNK1MKNK2KDM4C | |
| SCHEMBL18857773 | 0.71 | KDM4C (0.46) | AOC1AOC3KDM4CKDM6BGAA | |
| Hydrochloric Acid SCHEMBL7652650 | 0.71 | KDM6B (0.61) | AOC3KDM4CKDM6BGAAKDM4E |
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 |