Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 20/20 | 0.73 |
| ▸ | ITGA4 | P13612 | 20/20 | 0.73 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL7237195 | 0.90 | ITGB1 (0.68) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6375057 | 0.89 | ITGB1 (0.65) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6367743 | 0.89 | ITGB1 (0.64) | ITGB1ITGA4ITGB7 | |
| Hydrochloric Acid SCHEMBL6149929 | 0.88 | ITGB1 (0.63) | ITGB1ITGA4ITGB7 | |
| Hydrochloric Acid SCHEMBL6149933 | 0.88 | ITGB1 (0.63) | ITGB1ITGA4ITGB7 | |
| SCHEMBL7226827 | 0.86 | ITGB1 (0.61) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6368512 | 0.85 | ITGA4 (0.72) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6372412 | 0.85 | ITGA4 (0.72) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6367973 | 0.85 | ITGB1 (0.62) | ITGB1ITGA4ITGB7 | |
| SCHEMBL6368456 | 0.84 | ITGA4 (0.70) | ITGB1ITGA4ITGB7 |
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 |