Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 9/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 9/20 | 0.47 |
| ▸ | TPH1 | P17752 | 9/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 4/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 2/20 | 0.43 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3593039 | 0.89 | ALDH1A1 (0.46) | ITGA4ITGB7ITGB1 | |
| Hydrochloric Acid SCHEMBL3593038 | 0.88 | ALDH1A1 (0.47) | ITGA4ITGB7TPH1ITGB1 | |
| SCHEMBL27488545 | 0.85 | ITGB1 (0.59) | ITGA4ITGB7TPH1ITGB1SLC7A5 | |
| SCHEMBL27488546 | 0.85 | ITGB1 (0.59) | ITGA4ITGB7TPH1ITGB1SLC7A5 | |
| SCHEMBL4512416 | 0.81 | ITGA4 (0.70) | ITGA4ITGB7ITGB1 | |
| SCHEMBL4512412 | 0.81 | ITGA4 (0.70) | ITGA4ITGB7ITGB1 | |
| SCHEMBL5162726 | 0.81 | ITGB1 (0.56) | ITGA4ITGB7TPH1ITGB1SLC7A5 | |
| SCHEMBL7227087 | 0.81 | ITGB1 (0.56) | ITGA4ITGB7TPH1ITGB1SLC7A5 | |
| Hydrochloric Acid SCHEMBL5159881 | 0.80 | ITGB1 (0.55) | ITGA4ITGB7TPH1ITGB1SLC7A5 | |
| SCHEMBL6238299 | 0.77 | ITGA4 (0.53) | ITGA4ITGB7ITGB1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002008202-A2 | ALPHA AMINO ACID DERIVATIVES--INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |