Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 17/20 | 0.56 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6544236 | 0.91 | ITGA4 (0.57) | ITGA4ITGB1SMN1; SMN2KMT2A | |
| SCHEMBL5152442 | 0.91 | ITGA4 (0.57) | ITGA4ITGB1SMN1; SMN2MEN1GAA | |
| SCHEMBL6543408 | 0.90 | ITGA4 (0.55) | ITGA4ITGB1SMN1; SMN2MEN1GAA | |
| SCHEMBL6208854 | 0.90 | ITGA4 (0.57) | ITGA4ITGB1SMN1; SMN2 | |
| SCHEMBL5155648 | 0.85 | ITGA4 (0.49) | ITGA4ITGB1MEN1GAAKMT2A | |
| SCHEMBL5154997 | 0.85 | ITGA4 (0.49) | ITGA4ITGB1MEN1GAAKMT2A | |
| SCHEMBL6210735 | 0.83 | ITGA4 (0.50) | ITGA4ITGB1MEN1KMT2A | |
| SCHEMBL6544076 | 0.83 | ITGA4 (0.57) | ITGA4ITGB1SMN1; SMN2KMT2A | |
| SCHEMBL5151631 | 0.83 | ITGA4 (0.48) | ITGA4ITGB1MEN1GAAKMT2A | |
| SCHEMBL5151939 | 0.83 | ITGA4 (0.50) | ITGA4ITGB1MEN1GAAKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6756378-B2 | BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) | PHARMACOPEIA DRUG DISCOVERY, INC. | 2004-06-29 | — | — | US | disclosed |