Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.33 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL5747621 | 0.84 | ALDH1A1 (0.33) | KLKB1 | |
| SCHEMBL5745758 | 0.83 | KLKB1 (0.30) | KLKB1 | |
| SCHEMBL5745667 | 0.83 | BRD4 (0.34) | KLKB1 | |
| SCHEMBL5743215 | 0.82 | DGAT1 (0.32) | — | |
| SCHEMBL4506774 | 0.82 | PDE10A (0.33) | PDE10A | |
| SCHEMBL5746562 | 0.81 | DGAT1 (0.34) | — | |
| SCHEMBL5746539 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL5744724 | 0.76 | BRD4 (0.32) | — | |
| SCHEMBL4513129 | 0.75 | GCGR (0.30) | — | |
| SCHEMBL5744915 | 0.75 | DGAT1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1689738-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | Bristol-Myers Squibb Company (US) | 2006-08-16 | — | — | EP | disclosed |
| WO-2005056550-A2 | HETEROCYCLIC ANTI-MIGRAINE AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-06-23 | — | — | WO | disclosed |