Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 18/20 | 0.75 |
| ▸ | ITGB3 | P05106 | 17/20 | 0.75 |
| ▸ | ITGB6 | P18564 | 8/20 | 0.75 |
| ▸ | ITGB5 | P18084 | 7/20 | 0.75 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.75 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.70 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.70 |
| ▸ | CTSA | P10619 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7172659 | 0.99 | ITGAV (0.74) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7172643 | 0.99 | ITGAV (0.74) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL6671946 | 0.98 | ITGAV (0.79) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7174477 | 0.97 | ITGAV (0.78) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7174496 | 0.97 | ITGAV (0.78) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| Trifluoroacetic Acid SCHEMBL6683132 | 0.96 | ITGAV (0.77) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL6670827 | 0.94 | ITGAV (0.79) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| Trifluoroacetic Acid SCHEMBL6668017 | 0.93 | ITGAV (0.81) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7172648 | 0.93 | ITGAV (0.65) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7172749 | 0.93 | ITGAV (0.77) | ITGAVITGB3ITGB6ITGB5ITGA2B |
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-1153014-B1 | BETA-ALANINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2004-09-22 | — | — | EP | claimed |
| 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 |