Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 20/20 | 0.82 |
| ▸ | ITGB3 | P05106 | 19/20 | 0.82 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.82 |
| ▸ | ITGB6 | P18564 | 4/20 | 0.82 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.82 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.61 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL6670261 | 0.97 | ITGAV (0.78) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6667521 | 0.96 | ITGAV (0.90) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6667621 | 0.96 | ITGAV (0.90) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7171319 | 0.95 | ITGAV (0.88) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL7171300 | 0.95 | ITGAV (0.88) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6668715 | 0.93 | ITGAV (0.85) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| SCHEMBL6668542 | 0.93 | ITGAV (0.84) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6669938 | 0.93 | ITGAV (0.73) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6668745 | 0.93 | ITGAV (0.79) | ITGAVITGB3ITGA2BITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL7172263 | 0.93 | ITGAV (0.81) | 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 2 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 |