Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 7/20 | 0.43 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.42 |
| ▸ | ITGAV | P06756 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.40 |
| ▸ | MMP13 | P45452 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 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 | |
|---|---|---|---|---|
| SCHEMBL5166690 | 0.86 | ITGB1 (0.47) | ITGB1ITGA4ITGB3ITGA2B | |
| SCHEMBL5681731 | 0.82 | ITGA4 (0.43) | ITGB1ITGA4ADORA2AITGB3ITGA2B | |
| SCHEMBL1929718 | 0.73 | HTR2C (0.48) | MMP13 | |
| SCHEMBL5679669 | 0.73 | ITGB1 (0.63) | ITGB1ITGA4 | |
| SCHEMBL6568332 | 0.72 | ITGA4 (0.47) | ITGB1ITGA4 | |
| SCHEMBL12834784 | 0.72 | ITGA4 (0.44) | ITGB1ITGA4 | |
| SCHEMBL20701414 | 0.71 | NPC1 (0.51) | MMP13 | |
| SCHEMBL6568912 | 0.71 | ITGB1 (0.51) | ITGB1ITGA4ITGB3ITGAV | |
| SCHEMBL5859856 | 0.70 | ITGA4 (0.46) | ITGB1ITGA4 | |
| SCHEMBL17481627 | 0.70 | NPC1 (0.50) | — |
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-1144435-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043413-A2 | PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |