Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 10/20 | 0.68 |
| ▸ | ITGA5 | P08648 | 5/20 | 0.68 |
| ▸ | ITGA4 | P13612 | 5/20 | 0.57 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.57 |
| ▸ | ITGA2 | P17301 | 1/20 | 0.54 |
| ▸ | CCR4 | P51679 | 3/20 | 0.54 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
| ▸ | MMP9 | P14780 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.51 |
| ▸ | ITGAV | P06756 | 3/20 | 0.51 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.50 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL7066228 | 0.94 | ITGB1 (0.61) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL6374288 | 0.92 | ITGB1 (0.68) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL6368508 | 0.92 | ITGB1 (0.69) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL6368803 | 0.92 | ITGB1 (0.68) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL7070076 | 0.90 | CCR4 (0.64) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL6373361 | 0.89 | ITGB1 (0.56) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL2879402 | 0.89 | ITGB1 (0.77) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL2879401 | 0.89 | ITGB1 (0.77) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL2879404 | 0.89 | ITGB1 (0.77) | ITGB1ITGA5ITGA4ITGB7ITGA2 | |
| SCHEMBL27877728 | 0.89 | ITGB1 (0.77) | ITGB1ITGA5ITGA4ITGB7ITGA2 |
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 4 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-1998053814-A1 | HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS | MERCK & CO., INC. (US) | 1998-12-03 | — | — | WO | claimed |