Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 18/20 | 0.60 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.60 |
| ▸ | CD2 | P06729 | 1/20 | 0.54 |
| ▸ | CD58 | P19256 | 1/20 | 0.54 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.52 |
| ▸ | ITGAV | P06756 | 9/20 | 0.50 |
| ▸ | ITGB5 | P18084 | 4/20 | 0.49 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29686672 | 0.90 | ITGB3 (0.75) | ITGB3ITGA2BCXCR4ITGAVITGB5 | |
| SCHEMBL19299795 | 0.89 | ITGB3 (0.54) | ITGB3ITGA2BCD2CD58CXCR4 | |
| SCHEMBL15308347 | 0.89 | ITGB3 (0.56) | ITGB3ITGA2BCD2CD58CXCR4 | |
| SCHEMBL7746029 | 0.89 | ITGB3 (0.56) | ITGB3ITGA2BCD2CD58CXCR4 | |
| SCHEMBL19018807 | 0.89 | ITGB3 (0.56) | ITGB3ITGA2BCD2CD58CXCR4 | |
| SCHEMBL24454392 | 0.89 | ITGB3 (0.56) | ITGB3ITGA2BCD2CD58CXCR4 | |
| SCHEMBL23839922 | 0.89 | ITGB3 (0.56) | ITGB3ITGA2BCD2CD58CXCR4 | |
| Trifluoroacetic Acid SCHEMBL31614099 | 0.86 | ITGB3 (0.69) | ITGB3ITGA2BCXCR4ITGAVITGB5 | |
| Trifluoroacetic Acid SCHEMBL30467217 | 0.86 | ITGB3 (0.69) | ITGB3ITGA2BCXCR4ITGAVITGB5 | |
| SCHEMBL16130994 | 0.85 | ITGB3 (0.57) | ITGB3ITGA2BITGAVITGB5ITGA5 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012012612-A2 | TETRAZINE-TRANS-CYCLOOCTENE LIGATION FOR THE RAPID CONSTRUCTION OF RADIONUCLIDE LABELED PROBES | UNIVERSITY OF DELAWARE (US) | 2012-01-26 | — | — | WO | disclosed |