Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 15/20 | 0.51 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.51 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.51 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.47 |
| ▸ | ITGAV | P06756 | 6/20 | 0.44 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4413756 | 0.88 | ITGB1 (0.53) | ITGB1ITGA4ITGB7ITGA5ITGAV | |
| SCHEMBL7445463 | 0.86 | ITGB1 (0.48) | ITGB1ITGA4ITGB7ITGA5ITGAV | |
| SCHEMBL7470368 | 0.84 | ITGA4 (0.43) | ITGB1ITGA4ITGB7ITGA5ITGAV | |
| SCHEMBL6368426 | 0.83 | ITGB1 (0.58) | ITGB1ITGA4ITGB7ITGA5ALDH1A1 | |
| SCHEMBL6429378 | 0.83 | ITGB1 (0.67) | ITGB1ITGA4ITGB7ITGA5ITGAV | |
| SCHEMBL6368407 | 0.83 | ITGA4 (0.48) | ITGB1ITGA4ITGB7ITGA5ITGAV | |
| SCHEMBL5608873 | 0.83 | ITGB1 (0.44) | ITGB1ITGA4ITGB7ITGA5ITGAV | |
| SCHEMBL7408832 | 0.83 | ITGB1 (0.47) | ITGB1ITGA4ITGB7ITGA5ITGA2 | |
| SCHEMBL6431309 | 0.82 | ITGB1 (0.58) | ITGB1ITGA4ITGB7ITGA5ITGAV | |
| SCHEMBL4449815 | 0.81 | ITGB1 (0.48) | ITGB1ITGA4ITGB7ITGA5ITGAV |
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 5 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 |
| 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 |