Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM6 | O15303 | 1/20 | 0.52 |
| ▸ | GRM2 | Q14416 | 5/20 | 0.44 |
| ▸ | ACE | P12821 | 1/20 | 0.41 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GRM3 | Q14832 | 2/20 | 0.39 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5451611 | 1.00 | GRM6 (0.52) | GRM6GRM2ACES1PR1S1PR5 | |
| SCHEMBL22443390 | 0.84 | GRM6 (0.51) | GRM6GRM2ACES1PR1S1PR5 | |
| SCHEMBL24832496 | 0.79 | GRM6 (0.47) | GRM6GRM2ACES1PR1S1PR5 | |
| SCHEMBL5965414 | 0.75 | GRM6 (0.49) | GRM6GRM2ACES1PR1S1PR5 | |
| SCHEMBL6128166 | 0.75 | GRM6 (0.49) | GRM6GRM2ACES1PR1S1PR5 | |
| SCHEMBL5965412 | 0.75 | GRM6 (0.49) | GRM6GRM2ACES1PR1S1PR5 | |
| SCHEMBL6647307 | 0.74 | GRM6 (0.48) | GRM6GRM2ACES1PR1S1PR5 | |
| SCHEMBL20799614 | 0.71 | GRIN2B (0.50) | S1PR1S1PR5GAA | |
| SCHEMBL4710674 | 0.69 | GRM6 (0.49) | GRM6ACES1PR1S1PR5GAA | |
| SCHEMBL6488253 | 0.69 | GRM6 (0.56) | GRM6ACES1PR1S1PR5ELANE |
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-1751164-A1 | 3,6-DIAZABICYCLOS[3.1.1]HEPTANE DERIVATIVES WITH ANALGESIC ACTIVITY | UNIVERSITA'DEGLI STUDI DI MILANO (IT) | 2007-02-14 | — | — | EP | disclosed |
| WO-2005108402-A1 | 3,6-DIAZABICYCLOS[3.1.1]HEPTANE DERIVATIVES WITH ANALGESIC ACTIVITY | UNIVERSITA' DEGLI STUDI DI MILANO (IT) | 2005-11-17 | — | — | WO | disclosed |