Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 5/20 | 0.35 |
| ▸ | CDK1 | P06493 | 5/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 4/20 | 0.35 |
| ▸ | PDE9A | O76083 | 11/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.33 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.33 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL4514691 | 0.81 | AURKA (0.41) | AURKACDK1CCNB1PDE9AAURKB | |
| SCHEMBL4590637 | 0.80 | SMN1; SMN2 (0.47) | KCNH2 | |
| SCHEMBL4497277 | 0.77 | PDE9A (0.51) | PDE9APDE1C | |
| SCHEMBL4590830 | 0.72 | BCHE (0.45) | AURKACDK1CCNB1PDE9APDE1C | |
| SCHEMBL1353660 | 0.66 | CDK4 (0.63) | AURKACDK1CCNB1AURKB | |
| SCHEMBL4589851 | 0.65 | LMNA (0.45) | AURKACDK1CCNB1PDE9AAURKB | |
| SCHEMBL27156475 | 0.63 | AURKA (0.46) | AURKACDK1CCNB1PDE9AAURKB | |
| SCHEMBL8472219 | 0.62 | PDE9A (0.39) | AURKACDK1CCNB1PDE9AAURKB | |
| SCHEMBL4497280 | 0.61 | TYK2 (0.50) | — | |
| SCHEMBL18366799 | 0.61 | AURKA (0.44) | AURKACDK1CCNB1PDE9AAURKB |
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-2008055959-A1 | NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES | GALAPAGOS N.V. (BE) | 2008-05-15 | — | — | WO | disclosed |