Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 7/20 | 0.44 |
| ▸ | DRD3 | P35462 | 7/20 | 0.44 |
| ▸ | DRD4 | P21917 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | DRD1 | P21728 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.43 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.43 |
| ▸ | CDK7 | P50613 | 1/20 | 0.43 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.43 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10145972 | 0.83 | MAP4K4 (0.46) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL17788647 | 0.79 | KDM4E (0.44) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL259378 | 0.78 | DRD2 (0.48) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL30971750 | 0.77 | DRD2 (0.50) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL261030 | 0.77 | DRD2 (0.47) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL13540953 | 0.77 | DRD2 (0.47) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL31136813 | 0.75 | KDM4E (0.42) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL969735 | 0.74 | DRD2 (0.45) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL967558 | 0.74 | DRD2 (0.45) | DRD2DRD3DRD4KDM4EDRD1 | |
| SCHEMBL11655446 | 0.74 | MAP4K4 (0.47) | DRD2DRD3DRD4KDM4EDRD1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3016951-B1 | TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-05-31 | — | — | EP | disclosed |