Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 16/20 | 0.54 |
| ▸ | ITGB1 | P05556 | 11/20 | 0.54 |
| ▸ | ITGB7 | P26010 | 6/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 2/20 | 0.44 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6373870 | 0.92 | ITGA4 (0.53) | ITGA4ITGB1ITGB7ITGA5PTPN11 | |
| SCHEMBL6367240 | 0.92 | ITGA4 (0.51) | ITGA4ITGB1ITGB7ITGA5HSD11B1 | |
| SCHEMBL6368571 | 0.90 | ITGA4 (0.51) | ITGA4ITGB1ITGB7ITGA5PTPN11 | |
| SCHEMBL6368647 | 0.84 | HSD11B1 (0.50) | ITGA4ITGB1ITGB7ITGA5HSD11B1 | |
| SCHEMBL6368457 | 0.82 | ITGA4 (0.48) | ITGA4ITGB1ITGB7ITGA5HSD11B1 | |
| SCHEMBL6372390 | 0.82 | ITGA4 (0.51) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6373371 | 0.81 | ITGA4 (0.47) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6368098 | 0.81 | ITGA4 (0.56) | ITGA4ITGB1ITGB7 | |
| SCHEMBL6367279 | 0.80 | LMNA (0.45) | ITGA4ITGB1ITGB7ITGA5HSD11B1 | |
| SCHEMBL6369124 | 0.80 | ITGA4 (0.62) | ITGA4ITGB1ITGB7ITGA5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001764-A4 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO INC (US) | 2005-08-24 | — | — | EP | claimed |
| US-6903075-B1 | Heterocyclic amide compounds as cell adhesion inhibitors | MERCK & CO., INC. (US) | 2005-06-07 | — | — | US | claimed |
| JP-2002512625-A | — | — | 2002-04-23 | — | — | JP | claimed |
| EP-1001764-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | Merck & Co., Inc. (a New Jersey corp.) (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999064395-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1999-12-16 | — | — | WO | claimed |
| WO-1998053814-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | claimed |