Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 14/20 | 0.50 |
| ▸ | ITGA4 | P13612 | 9/20 | 0.50 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.47 |
| ▸ | ITGAV | P06756 | 4/20 | 0.45 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.44 |
| ▸ | TACR1 | P25103 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 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 | |
|---|---|---|---|---|
| SCHEMBL6368978 | 0.91 | ITGB1 (0.52) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL6375358 | 0.86 | ITGB1 (0.53) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL6368648 | 0.82 | ITGB1 (0.50) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL6367317 | 0.81 | ITGB1 (0.65) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL6374041 | 0.78 | MMP8 (0.60) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL6368195 | 0.78 | ITGB1 (0.64) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL6431890 | 0.77 | ITGA4 (0.55) | ITGB1ITGA4ITGAV | |
| SCHEMBL6368166 | 0.76 | ITGB1 (0.72) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL5686709 | 0.76 | ITGB1 (0.61) | ITGB1ITGA4ITGA5ITGB7ITGAV | |
| SCHEMBL6368888 | 0.75 | ITGB1 (0.73) | ITGB1ITGA4ITGA5ITGB7ITGAV |
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 |