Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB2 | P05107 | 4/20 | 0.69 |
| ▸ | ICAM1 | P05362 | 4/20 | 0.69 |
| ▸ | ITGAL | P20701 | 4/20 | 0.69 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.60 |
| ▸ | CA4 | P22748 | 1/20 | 0.60 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.52 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.52 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.52 |
| ▸ | TNKS | O95271 | 1/20 | 0.52 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.52 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.52 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.52 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.52 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.52 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.52 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.52 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL18812999 | 0.91 | ITGB2 (0.60) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6766087 | 0.84 | HDAC1 (0.72) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6766091 | 0.84 | HDAC1 (0.72) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6759585 | 0.84 | PTGES (0.61) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6759583 | 0.84 | PTGES (0.61) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL6759562 | 0.83 | ITGB2 (0.60) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL5830473 | 0.83 | ITGB2 (1.00) | ITGB2ICAM1ITGALHDAC1HDAC8 | |
| SCHEMBL5830476 | 0.83 | ITGB2 (1.00) | ITGB2ICAM1ITGALHDAC1HDAC8 | |
| SCHEMBL6759567 | 0.83 | ITGB2 (0.60) | ITGB2ICAM1ITGALCA1CA2 | |
| SCHEMBL459291 | 0.83 | NFKB1 (0.75) | ITGB2ICAM1ITGALCA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1165505-A1 | CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS | ABBOTT LABORATORIES (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000059880-A1 | CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS | ABBOTT LABORATORIES (US) | 2000-10-12 | — | — | WO | disclosed |