Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 3/20 | 0.56 |
| ▸ | ITGA4 | P13612 | 3/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 13/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 12/20 | 0.50 |
| ▸ | ITGAV | P06756 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 2/20 | 0.47 |
| ▸ | ACE2 | Q9BYF1 | 2/20 | 0.47 |
| ▸ | MME | P08473 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 1/20 | 0.47 |
| ▸ | TGM2 | P21980 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5086266 | 1.00 | ITGB1 (0.56) | ITGB1ITGA4ITGB3ITGA2BITGAV | |
| SCHEMBL2252892 | 0.90 | FOLH1 (0.56) | ITGB1ITGA4ITGB3ITGA2BACE | |
| SCHEMBL2252894 | 0.90 | FOLH1 (0.56) | ITGB1ITGA4ITGB3ITGA2BACE | |
| SCHEMBL844471 | 0.89 | ITGB3 (0.58) | ITGB1ITGA4ITGB3ITGA2BACE | |
| SCHEMBL7758997 | 0.89 | ITGB3 (0.58) | ITGB1ITGA4ITGB3ITGA2BACE | |
| SCHEMBL2185240 | 0.89 | ITGB3 (0.58) | ITGB1ITGA4ITGB3ITGA2BACE | |
| SCHEMBL15201783 | 0.88 | MME (0.61) | ITGB1ITGA4ITGB3ITGA2BITGAV | |
| SCHEMBL9936982 | 0.88 | MME (0.61) | ITGB1ITGA4ITGB3ITGA2BITGAV | |
| SCHEMBL8023605 | 0.88 | ITGB1 (0.52) | ITGB1ITGA4ITGB3ITGA2B | |
| SCHEMBL5181822 | 0.88 | ITGB1 (0.52) | ITGB1ITGA4ITGB3ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008101840-A1 | COMBINATION OF ERLOTINIB AND MEK-INHIBITORS FOR INHIBITING PROLIFERATION OF TUMOR CELLS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-08-28 | — | — | WO | disclosed |