Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACE | P12821 | 2/20 | 0.48 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.45 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.44 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.44 |
| ▸ | ITGAV | P06756 | 1/20 | 0.44 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.44 |
| ▸ | PTPRB | P23467 | 3/20 | 0.44 |
| ▸ | CTSS | P25774 | 4/20 | 0.44 |
| ▸ | CTSK | P43235 | 3/20 | 0.44 |
| ▸ | ITGA4 | P13612 | 2/20 | 0.44 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.44 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 2/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7260830 | 1.00 | ACE (0.48) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| Hydrochloric Acid SCHEMBL5262115 | 0.88 | ACE (0.46) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| SCHEMBL7264852 | 0.85 | PTPN1 (0.49) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| SCHEMBL7264856 | 0.85 | PTPN1 (0.49) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| SCHEMBL2978498 | 0.81 | ITGB3 (0.48) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| SCHEMBL7104303 | 0.81 | ITGB3 (0.48) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| SCHEMBL7259564 | 0.80 | KLK5 (0.44) | ACEITGB3ITGA2BITGB1ITGAV | |
| SCHEMBL7105100 | 0.79 | ACE (0.52) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| SCHEMBL7105095 | 0.79 | ACE (0.52) | ACEPTPN1ITGB3ITGA2BITGB1 | |
| SCHEMBL7716450 | 0.79 | ACE (0.52) | ACEPTPN1ITGB3ITGA2BITGB1 |
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-6593338-B2 | Inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders or disorders involving the inappropriate growth or migration of cells. | CELLTECH R&D LIMITED (GB) | 2003-07-15 | — | — | US | disclosed |