Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUAK1 | O60285 | 1/20 | 0.32 |
| ▸ | JAK2 | O60674 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | JAK1 | P23458 | 1/20 | 0.32 |
| ▸ | TYK2 | P29597 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | JAK3 | P52333 | 1/20 | 0.32 |
| ▸ | NUAK2 | Q9H093 | 1/20 | 0.32 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 1/20 | 0.31 |
| ▸ | CCND2 | P30279 | 1/20 | 0.31 |
| ▸ | CCND3 | P30281 | 1/20 | 0.31 |
| ▸ | MTOR | P42345 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13628837 | 0.83 | ADORA2A (0.39) | ALDH1A1TDP1 | |
| SCHEMBL2927404 | 0.77 | CNR2 (0.38) | ALDH1A1NPSR1KDM4EHSD17B10CDK4 | |
| SCHEMBL13628825 | 0.75 | CYP1A2 (0.37) | ALDH1A1HSD17B10LMNAHIF1A | |
| SCHEMBL13628828 | 0.65 | ADORA3 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL13628834 | 0.64 | ADORA3 (0.38) | ALDH1A1NPSR1KDM4EHSD17B10TDP1 | |
| SCHEMBL2922408 | 0.61 | ADORA2A (0.41) | — | |
| SCHEMBL23269133 | 0.60 | KDM4E (0.57) | ALDH1A1NPSR1KDM4EHSD17B10MTOR | |
| SCHEMBL13628819 | 0.60 | CNR1 (0.43) | FLT3ALDH1A1KDM4EHSD17B10L3MBTL1 | |
| SCHEMBL12433041 | 0.55 | GRIN1 (0.47) | ALDH1A1NPSR1KDM4EHSD17B10PDE1A | |
| SCHEMBL12439959 | 0.55 | ADORA2A (0.46) | ALDH1A1NPSR1KDM4EHSD17B10CDK4 |
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 |
|---|---|---|---|---|---|---|---|
| US-7612070-B2 | Heterocyclic compounds as antiinflammatory agents and cyclooxygenase inhibitors | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2009-11-03 | — | — | US | disclosed |