Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.73 |
| ▸ | ITGA2B | P08514 | 16/20 | 0.73 |
| ▸ | ITGAV | P06756 | 9/20 | 0.73 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.73 |
| ▸ | F2R | P25116 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13344609 | 0.86 | ITGB3 (0.82) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL3534624 | 0.84 | ITGB3 (1.00) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344594 | 0.83 | ITGB3 (0.78) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344610 | 0.83 | ITGB3 (0.78) | ITGB3ITGA2BITGAVITGB5F2R | |
| Isonipecotamide SCHEMBL13344597 | 0.83 | ITGB3 (1.00) | ITGB3ITGA2BITGAVITGB5 | |
| Isonipecotamide SCHEMBL13344606 | 0.83 | ITGB3 (1.00) | ITGB3ITGA2BITGAVITGB5 | |
| SCHEMBL13344592 | 0.81 | ITGB3 (0.75) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344599 | 0.81 | ITGB3 (0.75) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344611 | 0.81 | ITGB3 (0.75) | ITGB3ITGA2BITGAVITGB5F2R | |
| SCHEMBL13344601 | 0.81 | ITGB3 (0.75) | ITGB3ITGA2BITGAVITGB5F2R |
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-7718673-B2 | Isonipecotamides for the treatment of integrin-mediated disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2010-05-18 | — | — | US | disclosed |
| US-7718673-B2 | Isonipecotamides for the treatment of integrin-mediated disorders | ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) | 2010-05-18 | — | — | US | disclosed |