Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 20/20 | 0.86 |
| ▸ | ITGB7 | P26010 | 20/20 | 0.86 |
| ▸ | ITGB1 | P05556 | 19/20 | 0.86 |
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 | |
|---|---|---|---|---|
| SCHEMBL26548188 | 1.00 | ITGA4 (0.86) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6029916 | 0.93 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6029913 | 0.93 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL24946027 | 0.88 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL26128157 | 0.83 | ITGA4 (0.82) | ITGA4ITGB7ITGB1 | |
| SCHEMBL26128161 | 0.83 | ITGA4 (0.82) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6029120 | 0.83 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6029127 | 0.83 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6030214 | 0.82 | ITGA4 (1.00) | ITGA4ITGB7ITGB1 | |
| SCHEMBL6030221 | 0.82 | ITGA4 (1.00) | 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-2023196342-A1 | α4β1/7 INTEGRIN LIGAND CONJUGATED COMPOUNDS AND USES THEREOF | ADARX PHARMACEUTICALS, INC. (US) | 2023-10-12 | — | — | WO | disclosed |