Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.31 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.31 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL5533516 | 1.00 | GAA (0.33) | GAAIRAK4ITGB3ITGA2B | |
| SCHEMBL5533521 | 1.00 | GAA (0.33) | GAAIRAK4ITGB3ITGA2B | |
| SCHEMBL7275658 | 0.74 | GAA (0.42) | GAAIRAK4ITGB3ITGA2B | |
| SCHEMBL7277780 | 0.73 | GAA (0.41) | GAAIRAK4ITGB3ITGA2B | |
| SCHEMBL7282562 | 0.70 | ITGB3 (0.56) | IRAK4ITGB3ITGA2B | |
| SCHEMBL7283083 | 0.70 | ITGB3 (0.56) | IRAK4ITGB3ITGA2B | |
| SCHEMBL7276433 | 0.70 | ITGB3 (0.56) | IRAK4ITGB3ITGA2B | |
| SCHEMBL7275480 | 0.68 | GAA (0.37) | GAAIRAK4ITGB3ITGA2B | |
| SCHEMBL8863881 | 0.64 | ITGB3 (0.43) | IRAK4ITGB3ITGA2B | |
| SCHEMBL3496534 | 0.64 | KCNH2 (0.37) | GAA |
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-1804793-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | Merck & Co., Inc. (US) | 2007-07-11 | — | — | EP | disclosed |
| WO-2006047195-A2 | 2-(ARYL)AZACYCLYLMETHYL CARBOXYLATES, SULFONATES, PHOSPHONATES, PHOSPHINATES AND HETEROCYCLES AS S1P RECEPTOR AGONISTS | MERCK & CO., INC. (US) | 2006-05-04 | — | — | WO | disclosed |