Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 19/20 | 0.82 |
| ▸ | ITGB3 | P05106 | 18/20 | 0.82 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.82 |
| ▸ | ITGB6 | P18564 | 6/20 | 0.82 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.82 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.51 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.51 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.47 |
| ▸ | CTSA | P10619 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7173311 | 0.99 | ITGAV (0.81) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6669034 | 0.97 | ITGAV (0.77) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7171385 | 0.96 | ITGAV (0.76) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6672107 | 0.94 | ITGAV (0.74) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6670329 | 0.92 | ITGAV (0.70) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7173328 | 0.91 | ITGAV (0.69) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6670290 | 0.91 | ITGAV (0.68) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6667992 | 0.90 | ITGAV (1.00) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7178288 | 0.89 | ITGAV (0.98) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7178273 | 0.89 | ITGAV (0.98) | ITGAVITGB3ITGA2BITGB6ITGB5 |
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-1153014-B1 | BETA-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-22 | — | — | EP | disclosed |
| US-6576637-B1 | Such as 3-(4-methyl-3-nitrophenyl)-3-(2-(4-(pyridin-2-yl-amino)butyryl amino)acetylamino)propionic acid; thrombosis, heart infarct, coronary heart diseases, arteriosclerosis, inflammations, | MERCK PATENT GMBH (DE) | 2003-06-10 | — | — | US | disclosed |
| EP-1153014-A2 | BETA-ALANINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2001-11-14 | — | — | EP | disclosed |
| WO-2000048996-A2 | β-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2000-08-24 | — | — | WO | disclosed |