Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.34 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 6/20 | 0.33 |
| ▸ | AURKA | O14965 | 3/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.33 |
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7358397 | 0.74 | PARP1 (0.41) | EGLN1PKN1PKN2PARP1KDM4E | |
| SCHEMBL22230610 | 0.72 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL19857564 | 0.72 | PARP1 (0.46) | PKN1PKN2PARP1KDM4EL3MBTL1 | |
| Citric Acid SCHEMBL7363546 | 0.70 | PARP1 (0.70) | PARP1ALDH1A1 | |
| SCHEMBL28062100 | 0.66 | ALDH1A1 (0.36) | SLC13A5KDM4ELMNAALDH1A1MEN1 | |
| Citric Acid SCHEMBL27541389 | 0.66 | NR4A1 (0.49) | SLC13A5KDM4ELMNAALDH1A1L3MBTL1 | |
| SCHEMBL16497015 | 0.66 | PARP1 (0.49) | EGLN1PARP1AURKARPS6KB1KDM4E | |
| Citric Acid SCHEMBL7363553 | 0.65 | PARP1 (0.42) | PARP1AURKASLC13A5KDM4ELMNA | |
| SCHEMBL31363591 | 0.64 | CYP17A1 (0.51) | EGLN1PARP1AURKARPS6KB1AURKB | |
| SCHEMBL21296994 | 0.64 | ALDH1A1 (0.48) | SLC13A5KDM4ELMNAMAPTALDH1A1 |
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-1107966-A2 | OXO-PYRIDOIMIDAZOLE-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000010973-A2 | OXO-PYRIDOIMIDAZOLE-CARBOXAMIDES: GABA BRAIN RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2000-03-02 | — | — | WO | disclosed |