Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 18/20 | 0.52 |
| ▸ | ITGA4 | P13612 | 18/20 | 0.52 |
| ▸ | ITGB7 | P26010 | 7/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | PTGES | O14684 | 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 | |
|---|---|---|---|---|
| SCHEMBL5850641 | 0.93 | ITGB1 (0.44) | ITGB1ITGA4ITGB7TDP1PTGES | |
| SCHEMBL5850823 | 0.91 | ITGB1 (0.42) | ITGB1ITGA4ITGB7TDP1PTGES | |
| SCHEMBL5850329 | 0.89 | ITGB1 (0.41) | ITGB1ITGA4ITGB7TDP1PTGES | |
| SCHEMBL5850857 | 0.88 | ITGB1 (0.64) | ITGB1ITGA4ITGB7TDP1 | |
| SCHEMBL7401948 | 0.86 | ITGB1 (0.61) | ITGB1ITGA4ITGB7TDP1 | |
| SCHEMBL5852158 | 0.83 | ITGB1 (0.52) | ITGB1ITGA4ITGB7 | |
| SCHEMBL5850607 | 0.82 | ITGA4 (0.47) | ITGB1ITGA4ITGB7TDP1 | |
| SCHEMBL5851039 | 0.82 | ATM (0.55) | ITGB1ITGA4ITGB7 | |
| SCHEMBL3858034 | 0.81 | MAPK1 (0.48) | ITGB1ITGA4TDP1PTGES | |
| SCHEMBL7409938 | 0.81 | ATM (0.55) | ITGB1ITGA4ITGB7 |
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 5 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 | claimed |
| WO-1999006435-A1 | DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |
| US-7030114-B1 | Compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2006-04-18 | — | — | US | disclosed |
| 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 |