Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 19/20 | 0.69 |
| ▸ | ITGA4 | P13612 | 19/20 | 0.69 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7352018 | 1.00 | ITGB1 (0.69) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7356657 | 0.92 | ITGB1 (0.67) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7356671 | 0.92 | ITGB1 (0.67) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7358843 | 0.91 | ITGB1 (0.58) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7352549 | 0.90 | ITGB1 (0.68) | ITGB1ITGA4 | |
| SCHEMBL27574644 | 0.90 | ITGB1 (0.68) | ITGB1ITGA4 | |
| SCHEMBL7362260 | 0.84 | ITGB1 (0.57) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7362255 | 0.84 | ITGB1 (0.57) | ITGB1ITGA4BDKRB2 | |
| SCHEMBL7349115 | 0.82 | ITGB1 (0.62) | ITGB1ITGA4 | |
| SCHEMBL27573744 | 0.82 | ITGB1 (0.62) | ITGB1ITGA4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1334797-A | 3, 4-diamino-3-cyclobutene-1, 2-dione derivatives that inhibit leukocyte adhesion mediated by VLA-4 | AMERICAN HOME PROD (US) | 2002-02-06 | — | — | CN | claimed |