Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 16/20 | 0.46 |
| ▸ | ICAM1 | P05362 | 16/20 | 0.46 |
| ▸ | ITGAL | P20701 | 16/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | CCR2 | P41597 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6196672 | 0.91 | ITGB2 (0.45) | ITGB2ICAM1ITGALCYP3A4CYP2C19 | |
| SCHEMBL6198618 | 0.85 | ITGB2 (0.63) | ITGB2ICAM1ITGAL | |
| SCHEMBL6568653 | 0.83 | ITGB2 (0.45) | ITGB2ICAM1ITGALCYP3A4CYP2C19 | |
| SCHEMBL6194325 | 0.82 | ITGB2 (0.43) | ITGB2ICAM1ITGALCYP3A4CYP2C19 | |
| SCHEMBL6198713 | 0.79 | ITGB2 (0.41) | ITGB2ICAM1ITGALCYP2C19DRD2 | |
| SCHEMBL6199984 | 0.78 | ITGB2 (0.40) | ITGB2ICAM1ITGALCYP2C19DRD2 | |
| SCHEMBL6221073 | 0.76 | ITGB2 (0.37) | ITGB2ICAM1ITGALCYP3A4CYP2C19 | |
| SCHEMBL6199421 | 0.71 | ITGAL (0.49) | ITGB2ICAM1ITGAL | |
| SCHEMBL5830524 | 0.71 | ITGB2 (0.72) | ITGB2ICAM1ITGALCYP3A4CYP2C19 | |
| SCHEMBL6198648 | 0.71 | ITGB2 (0.47) | ITGB2ICAM1ITGAL |
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 |
|---|---|---|---|---|---|---|---|
| US-6878700-B1 | Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds | ABBOTT LABORATORIES (US) | 2005-04-12 | — | — | US | claimed |
| US-6878700-B1 | Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds | ABBOTT LABORATORIES (US) | 2005-04-12 | — | — | US | disclosed |