Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 13/20 | 0.52 |
| ▸ | DRD2 | P14416 | 3/20 | 0.47 |
| ▸ | DRD4 | P21917 | 3/20 | 0.47 |
| ▸ | DRD3 | P35462 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | GNRHR | P30968 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.40 |
| ▸ | CASP5 | P51878 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL210671 | 0.90 | AURKA (0.64) | AURKADRD2DRD4DRD3CYP2D6 | |
| SCHEMBL14495854 | 0.89 | AURKA (0.50) | AURKADRD2DRD4DRD3CYP2D6 | |
| SCHEMBL210273 | 0.89 | AURKA (0.61) | AURKADRD2DRD4DRD3CYP2D6 | |
| SCHEMBL210907 | 0.88 | AURKA (0.54) | AURKADRD2DRD4DRD3CYP2D6 | |
| SCHEMBL211945 | 0.87 | AURKA (0.50) | AURKADRD2DRD4DRD3CYP2D6 | |
| SCHEMBL4756520 | 0.87 | AURKA (0.48) | AURKADRD2DRD4DRD3CYP2D6 | |
| SCHEMBL4757490 | 0.86 | AURKA (0.50) | AURKADRD2DRD4DRD3KCNH2 | |
| SCHEMBL13985732 | 0.84 | AURKA (0.48) | AURKACYP2D6CYP2C9CYP2C19KCNH2 | |
| SCHEMBL211129 | 0.84 | AURKA (0.48) | AURKADRD2DRD4DRD3CYP2D6 | |
| SCHEMBL13985593 | 0.83 | AURKA (0.45) | AURKADRD2DRD4DRD3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009001021-A1 | IMIDAZOPYRIDINE DERIVATIVES USEFUL AS ENZYME INHIBITORS FOR THE TREATMENT OF CELL PROLIFERATIVE AND AUTOIMMUNE DISEASES | CHROMA THERAPEUTICS LTD. (GB) | 2008-12-31 | — | — | WO | disclosed |