Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 6/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 6/20 | 0.36 |
| ▸ | ITGB7 | P26010 | 6/20 | 0.36 |
| ▸ | CNR2 | P34972 | 5/20 | 0.35 |
| ▸ | PIK3C3 | Q8NEB9 | 2/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | WDR5 | P61964 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.30 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29671090 | 1.00 | ITGB1 (0.36) | ITGB1ITGA4ITGB7CNR2PIK3C3 | |
| SCHEMBL22031450 | 1.00 | ITGB1 (0.36) | ITGB1ITGA4ITGB7CNR2PIK3C3 | |
| SCHEMBL21978659 | 0.94 | ITGA4 (0.42) | ITGB1ITGA4ITGB7PIK3C3WDR5 | |
| SCHEMBL21978664 | 0.94 | ITGA4 (0.42) | ITGB1ITGA4ITGB7PIK3C3WDR5 | |
| SCHEMBL21978667 | 0.94 | ITGA4 (0.42) | ITGB1ITGA4ITGB7PIK3C3WDR5 | |
| SCHEMBL22031424 | 0.92 | ITGA4 (0.40) | ITGB1ITGA4ITGB7CNR2PIK3C3 | |
| SCHEMBL29671123 | 0.92 | ITGA4 (0.40) | ITGB1ITGA4ITGB7CNR2PIK3C3 | |
| SCHEMBL21957457 | 0.90 | ITGB1 (0.43) | ITGB1ITGA4ITGB7PIK3C3 | |
| SCHEMBL21957462 | 0.90 | ITGB1 (0.43) | ITGB1ITGA4ITGB7PIK3C3 | |
| SCHEMBL21957463 | 0.90 | ITGB1 (0.43) | ITGB1ITGA4ITGB7PIK3C3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112969504-B | Compounds for inhibiting alpha 4 beta 7 integrin | 吉利德科学公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-112969504-A | Compounds for inhibiting alpha 4 beta 7 integrins | 吉利德科学公司 | 2021-06-15 | — | — | CN | disclosed |