Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 16/20 | 0.61 |
| ▸ | ITGB3 | P05106 | 13/20 | 0.61 |
| ▸ | ITGB6 | P18564 | 9/20 | 0.50 |
| ▸ | ITGB5 | P18084 | 6/20 | 0.50 |
| ▸ | ITGB8 | P26012 | 6/20 | 0.50 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL22029454 | 0.87 | ITGAV (0.75) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL23542450 | 0.85 | ITGAV (0.52) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL7549076 | 0.85 | ITGB3 (0.74) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL6265738 | 0.85 | ITGAV (0.56) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL19809630 | 0.84 | ITGAV (0.61) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL13720083 | 0.84 | ITGAV (0.69) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL20480976 | 0.83 | ITGAV (0.52) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL22223353 | 0.83 | ITGAV (0.60) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL16607379 | 0.83 | ITGAV (0.60) | ITGAVITGB3ITGB6ITGB5ITGB8 | |
| SCHEMBL7015442 | 0.83 | ITGB3 (0.68) | ITGAVITGB3ITGB6ITGB5ITGB8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0946165-A4 | INTEGRIN ANTAGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| EP-0946165-A1 | INTEGRIN ANTAGONISTS | Merck & Co., Inc. (US) | 1999-10-06 | — | — | EP | disclosed |
| WO-1998018460-A1 | INTEGRIN ANTAGONISTS | MERCK & CO., INC. (US) | 1998-05-07 | — | — | WO | disclosed |