Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 14/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4431233 | 1.00 | P2RX7 (0.42) | P2RX7ALDH1A1KDM4ETDP1SLC6A3 | |
| SCHEMBL4428053 | 0.95 | P2RX7 (0.44) | P2RX7ALDH1A1KDM4ETDP1 | |
| SCHEMBL4429693 | 0.95 | P2RX7 (0.45) | P2RX7SLC6A3 | |
| SCHEMBL4428035 | 0.95 | P2RX7 (0.45) | P2RX7SLC6A3 | |
| SCHEMBL4427965 | 0.95 | P2RX7 (0.44) | P2RX7ALDH1A1KDM4ETDP1 | |
| SCHEMBL4432125 | 0.94 | P2RX7 (0.41) | P2RX7ALDH1A1ROCK2 | |
| SCHEMBL4432133 | 0.94 | P2RX7 (0.41) | P2RX7ALDH1A1ROCK2 | |
| SCHEMBL4429658 | 0.90 | PDE4A (0.41) | P2RX7 | |
| SCHEMBL4441413 | 0.90 | PDE4A (0.41) | P2RX7 | |
| SCHEMBL4441204 | 0.88 | P2RX7 (0.41) | P2RX7ROCK2 |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |