Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 14/20 | 0.55 |
| ▸ | ITGB1 | P05556 | 13/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7539582 | 0.96 | ITGA4 (0.55) | ITGA4ITGB1SIGMAR1P2RX7 | |
| SCHEMBL7425429 | 0.96 | ITGA4 (0.56) | ITGA4ITGB1THRBSIGMAR1P2RX7 | |
| SCHEMBL7431406 | 0.91 | ITGA4 (0.63) | ITGA4ITGB1SIGMAR1P2RX7 | |
| SCHEMBL7430128 | 0.88 | ITGA4 (0.59) | ITGA4ITGB1SIGMAR1P2RX7 | |
| SCHEMBL7428863 | 0.87 | ITGA4 (0.61) | ITGA4ITGB1P2RX7 | |
| SCHEMBL7424843 | 0.85 | SIGMAR1 (0.57) | ITGA4ITGB1SIGMAR1 | |
| SCHEMBL7425004 | 0.84 | ITGA4 (0.60) | ITGA4ITGB1P2RX7 | |
| SCHEMBL7435014 | 0.82 | ITGB1 (0.47) | ITGA4ITGB1THRB | |
| SCHEMBL7425381 | 0.82 | ITGA4 (0.59) | ITGA4ITGB1SIGMAR1P2RX7 | |
| SCHEMBL7390959 | 0.82 | ITGB1 (0.44) | ITGA4ITGB1THRB |
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-1999054321-A1 | SUBSTITUTED DIAMINES AND THEIR USE AS CELL ADHESION INHIBITORS | AVENTIS PHARMA LIMITED (GB) | 1999-10-28 | — | — | WO | disclosed |