Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 15/20 | 0.61 |
| ▸ | ITGA4 | P13612 | 15/20 | 0.61 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5850857 | 0.98 | ITGB1 (0.64) | ITGB1ITGA4ITGB7ALDH1A1CA12 | |
| SCHEMBL7409938 | 0.92 | ATM (0.55) | ITGB1ITGA4ITGB7ALDH1A1CA12 | |
| SCHEMBL5851039 | 0.90 | ATM (0.55) | ITGB1ITGA4ITGB7ALDH1A1CA12 | |
| SCHEMBL5850545 | 0.86 | ITGB1 (0.52) | ITGB1ITGA4ITGB7TDP1 | |
| SCHEMBL5852274 | 0.85 | ITGB1 (0.51) | ITGB1ITGA4ITGB7MMP9 | |
| SCHEMBL5850609 | 0.82 | MMP9 (0.49) | ITGB1ITGA4ITGB7ALDH1A1TDP1 | |
| SCHEMBL5850607 | 0.81 | ITGA4 (0.47) | ITGB1ITGA4ITGB7ALDH1A1TDP1 | |
| SCHEMBL5850976 | 0.81 | ITGB1 (0.47) | ITGB1ITGA4ITGB7ALDH1A1TDP1 | |
| SCHEMBL5850641 | 0.78 | ITGB1 (0.44) | ITGB1ITGA4ITGB7ALDH1A1CA12 | |
| SCHEMBL5851029 | 0.77 | ITGB1 (0.66) | ITGB1ITGA4ITGB7ALDH1A1TDP1 |
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-0994895-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |