Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.47 |
| ▸ | ITGAV | P06756 | 2/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSS | P25774 | 1/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | CTSA | P10619 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 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 | |
|---|---|---|---|---|
| SCHEMBL5888364 | 1.00 | NAMPT (0.50) | NAMPTITGB3ITGAVCTSLCTSS | |
| SCHEMBL5888500 | 0.99 | NAMPT (0.49) | NAMPTITGB3ITGAVCTSLCTSS | |
| SCHEMBL5888498 | 0.99 | NAMPT (0.49) | NAMPTITGB3ITGAVCTSLCTSS | |
| SCHEMBL5888529 | 0.83 | METAP2 (0.49) | NAMPTCTSLCTSSCTSKROCK2 | |
| SCHEMBL5888521 | 0.83 | METAP2 (0.49) | NAMPTCTSLCTSSCTSKROCK2 | |
| SCHEMBL5888518 | 0.83 | METAP2 (0.49) | NAMPTCTSLCTSSCTSKROCK2 | |
| SCHEMBL5888341 | 0.80 | CTSL (0.49) | CTSLCTSSCTSKROCK2PSEN1 | |
| SCHEMBL5215121 | 0.80 | CTSL (0.49) | CTSLCTSSCTSKROCK2PSEN1 | |
| SCHEMBL5888499 | 0.80 | CTSL (0.49) | CTSLCTSSCTSKPSEN1PSEN2 | |
| SCHEMBL5888496 | 0.80 | CTSL (0.49) | CTSLCTSSCTSKPSEN1PSEN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7135472-B2 | 3-Heterocyclic benzylamide derivatives as potassium channel openers | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-14 | — | — | US | disclosed |