Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 17/20 | 0.68 |
| ▸ | ITGB3 | P05106 | 16/20 | 0.68 |
| ▸ | ITGB6 | P18564 | 6/20 | 0.68 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.68 |
| ▸ | ITGB5 | P18084 | 5/20 | 0.68 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.45 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.45 |
| ▸ | TACR3 | P29371 | 1/20 | 0.39 |
| ▸ | ITGB8 | P26012 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL6670180 | 0.97 | ITGAV (0.64) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL6668031 | 0.91 | ITGAV (0.83) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL6669430 | 0.91 | ITGAV (0.82) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL7173311 | 0.90 | ITGAV (0.81) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL6667525 | 0.88 | ITGAV (0.78) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL7173328 | 0.88 | ITGAV (0.69) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL7175635 | 0.88 | ITGAV (0.62) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL6669034 | 0.88 | ITGAV (0.77) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| SCHEMBL7171385 | 0.87 | ITGAV (0.76) | ITGAVITGB3ITGB6ITGA2BITGB5 | |
| Trifluoroacetic Acid SCHEMBL6673489 | 0.86 | ITGAV (0.75) | ITGAVITGB3ITGB6ITGA2BITGB5 |
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 |