Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 8/20 | 0.36 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.35 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | TRPV4 | Q9HBA0 | 2/20 | 0.34 |
| ▸ | ITGAV | P06756 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 4/20 | 0.33 |
| ▸ | TMPRSS6 | Q8IU80 | 4/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | RHOC | P08134 | 1/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL7408015 | 0.94 | PSMB5 (0.38) | ITGB3ITGA2BITGB1ITGA5CNR1 | |
| SCHEMBL7418101 | 0.92 | PPARD (0.41) | ITGB3ITGA2BITGB1ITGA5TRPV4 | |
| SCHEMBL7414232 | 0.92 | ITGB3 (0.37) | ITGB3ITGA2BITGB1ITGA5F2 | |
| SCHEMBL7412118 | 0.91 | ACLY (0.38) | ITGB3ITGA2BITGB1ITGA5F2 | |
| SCHEMBL7415220 | 0.90 | ITGB1 (0.36) | ITGB3ITGA2BITGB1ITGA5ITGAV | |
| SCHEMBL7415119 | 0.90 | ITGB1 (0.39) | ITGB3ITGA2BITGB1ITGA5ITGAV | |
| SCHEMBL7416127 | 0.90 | ITGB3 (0.37) | ITGB3ITGA2BITGB1ITGA5F2 | |
| Trifluoroacetic Acid SCHEMBL7416343 | 0.90 | ITGB3 (0.46) | ITGB3ITGA2BITGB1ITGA5ITGAV | |
| SCHEMBL7418892 | 0.89 | CYP3A4 (0.43) | ITGB3ITGA2BITGB1ITGA5ITGAV | |
| SCHEMBL7414434 | 0.89 | F2 (0.42) | ITGB3ITGA2BF2TMPRSS6RHOC |
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 |
|---|---|---|---|---|---|---|---|
| EP-1159262-A1 | TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000047552-A1 | TYROSINE ALKOXYGUANIDINES AS INTEGRIN INHIBITORS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2000-08-17 | — | — | WO | disclosed |