Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 4/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CDK4 | P11802 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 8/20 | 0.34 |
| ▸ | DRD3 | P35462 | 8/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CDK9 | P50750 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | KDR | P35968 | 1/20 | 0.32 |
| ▸ | COMT | P21964 | 4/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | NPY5R | Q15761 | 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 | |
|---|---|---|---|---|
| SCHEMBL3568757 | 0.82 | CDK2 (0.41) | CDK2CCNE1CDK4AURKACDK9 | |
| SCHEMBL14401137 | 0.62 | CDK4 (0.47) | CDK2CCNE1CDK4AURKACDK9 | |
| SCHEMBL5717577 | 0.61 | CDK4 (0.38) | CDK2CCNE1CDK4COMTLMNA | |
| SCHEMBL2353217 | 0.60 | DRD2 (0.51) | DRD2DRD3KDR | |
| SCHEMBL2347681 | 0.59 | TLR8 (0.43) | DRD2DRD3KDR | |
| SCHEMBL3572766 | 0.58 | TGFBR1 (0.37) | DRD2DRD3 | |
| SCHEMBL3574498 | 0.58 | CCR1 (0.43) | DRD2DRD3KDRLMNA | |
| SCHEMBL3571130 | 0.58 | TLR8 (0.46) | LMNA | |
| SCHEMBL3572286 | 0.57 | CDK2 (0.49) | CDK2CCNE1CDK4AURKACDK9 | |
| SCHEMBL2351423 | 0.57 | TLR8 (0.44) | CDK4DRD2DRD3KDRLMNA |
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-2007113260-A1 | AZABICYCLO [3. 1. O] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS | GLAXO GROUP LIMITED (GB) | 2007-10-11 | — | — | WO | disclosed |