Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.73 |
| ▸ | ITGA2B | P08514 | 17/20 | 0.73 |
| ▸ | ITGAV | P06756 | 8/20 | 0.73 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.69 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.42 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.42 |
| ▸ | F2R | P25116 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13344595 | 0.89 | ITGB3 (0.72) | ITGB3ITGA2BITGAVITGB5 | |
| SCHEMBL13344614 | 0.87 | ITGB3 (0.74) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344609 | 0.86 | ITGB3 (0.82) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344594 | 0.86 | ITGB3 (0.78) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344593 | 0.85 | ITGB3 (0.71) | ITGB3ITGA2BITGAVITGB5ITGB6 | |
| SCHEMBL3538864 | 0.85 | ITGB3 (0.78) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344610 | 0.85 | ITGB3 (0.78) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344596 | 0.85 | ITGB3 (0.68) | ITGB3ITGA2BITGAVITGB5ITGB6 | |
| Isonipecotamide SCHEMBL13344597 | 0.85 | ITGB3 (1.00) | ITGB3ITGA2BITGAVITGB5 | |
| Isonipecotamide SCHEMBL13344606 | 0.85 | ITGB3 (1.00) | ITGB3ITGA2BITGAVITGB5 |
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 |
|---|---|---|---|---|---|---|---|
| US-7718673-B2 | Isonipecotamides for the treatment of integrin-mediated disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2010-05-18 | — | — | US | disclosed |