Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 19/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.46 |
| ▸ | ITGAV | P06756 | 1/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7098651 | 0.94 | MEN1 (0.42) | ITGA4ITGB1ITGB3ITGAVITGA5 | |
| SCHEMBL7102227 | 0.88 | ITGA4 (0.61) | ITGA4ITGB1 | |
| SCHEMBL7102228 | 0.88 | ITGA4 (0.61) | ITGA4ITGB1 | |
| SCHEMBL7098304 | 0.88 | ITGA4 (0.61) | ITGA4ITGB1 | |
| SCHEMBL7098069 | 0.88 | ITGA4 (0.61) | ITGA4ITGB1 | |
| SCHEMBL7098305 | 0.88 | ITGA4 (0.61) | ITGA4ITGB1 | |
| SCHEMBL7242947 | 0.88 | ITGA4 (0.61) | ITGA4ITGB1 | |
| SCHEMBL7228642 | 0.87 | ITGA4 (0.42) | ITGA4ITGB1 | |
| SCHEMBL7103946 | 0.84 | ITGA4 (0.39) | ITGA4ITGB1ITGB3ITGAVITGA5 | |
| SCHEMBL6561139 | 0.84 | ITGA4 (0.49) | ITGA4ITGB1ITGB3ITGAVITGA5 |
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-0991619-B1 | INHIBITORS OF ALPHA 4-BETA 1 MEDIATED CELL ADHESION | TANABE SEIYAKU CO (JP) | 2003-09-10 | — | — | EP | disclosed |
| US-6596752-B1 | Small molecules that are potent inhibitors of alpha 4 beta 1 mediated adhesion to either VCAM or CS-1 and which could be useful for the treatment of inflammatory diseases. | TANABE SEIYAKU CO., LTD. (JP) | 2003-07-22 | — | — | US | disclosed |
| US-6482849-B1 | Inhibitors of α4β1 mediated cell adhesion | TANABE SEIYAKU CO., LTD. (JP) | 2002-11-19 | — | — | US | disclosed |