Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 20/20 | 0.61 |
| ▸ | ITGB3 | P05106 | 19/20 | 0.61 |
| ▸ | ITGB6 | P18564 | 9/20 | 0.60 |
| ▸ | ITGB5 | P18084 | 8/20 | 0.60 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.53 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.48 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.48 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7100486 | 0.88 | ITGAV (0.62) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7104969 | 0.88 | ITGAV (0.66) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7105210 | 0.88 | ITGAV (0.59) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7171867 | 0.85 | ITGAV (0.81) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7176714 | 0.85 | ITGAV (0.80) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7176693 | 0.85 | ITGAV (0.80) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7099706 | 0.84 | ITGAV (0.77) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7171339 | 0.83 | ITGAV (0.78) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7173725 | 0.83 | ITGAV (0.85) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| Trifluoroacetic Acid SCHEMBL7169260 | 0.81 | ITGAV (0.81) | ITGAVITGB3ITGB6ITGB5ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6649613-B1 | Integrin inhibitors | MERCK PATENT GMBH (DE) | 2003-11-18 | — | — | US | disclosed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | disclosed |