Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 12/20 | 0.46 |
| ▸ | ITGAV | P06756 | 5/20 | 0.38 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.38 |
| ▸ | ITGB8 | P26012 | 2/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.34 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.32 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL15334524 | 0.80 | KEAP1 (0.45) | KEAP1ITGAVITGB3ITGB5GAA | |
| SCHEMBL30839645 | 0.71 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL14176794 | 0.69 | — | — | |
| SCHEMBL30549333 | 0.68 | KEAP1 (0.47) | KEAP1 | |
| SCHEMBL15334516 | 0.67 | KEAP1 (0.36) | KEAP1ITGAVITGB3ITGB5GAA | |
| SCHEMBL29624116 | 0.64 | MEN1 (0.37) | KEAP1 | |
| SCHEMBL1679978 | 0.63 | ITGB3 (0.48) | ITGAVITGB3ITGB5GAAITGB1 | |
| SCHEMBL13657921 | 0.63 | GAA (0.38) | KEAP1ITGAVITGB6ITGB8GAA | |
| SCHEMBL2687510 | 0.63 | GAA (0.36) | KEAP1ITGAVITGB3ITGB5GAA | |
| SCHEMBL9002785 | 0.62 | ITGB3 (0.42) | KEAP1ITGAVITGB3ITGB5GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120071329-A1 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | US | disclosed |
| US-7989395-B2 | Methods for identifying compounds of interest using encoded libraries | GLAXOSMITHKLINE LLC (US) | 2011-08-02 | — | — | US | disclosed |
| WO-2007053358-A2 | METHODS FOR IDENTIFYING COMPOUNDS OF INTEREST USING ENCODED LIBRARIES | PRAECIS PHARMACEUTICALS, INC. (US) | 2007-05-10 | — | — | WO | disclosed |