Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.47 |
| ▸ | ITGAV | P06756 | 19/20 | 0.47 |
| ▸ | ITGB1 | P05556 | 5/20 | 0.47 |
| ▸ | ITGB6 | P18564 | 3/20 | 0.47 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.47 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 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 | |
|---|---|---|---|---|
| SCHEMBL3042341 | 0.93 | ITGB3 (0.54) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| SCHEMBL3046460 | 0.90 | ITGB3 (0.57) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6696483 | 0.88 | ITGB3 (0.54) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| Trifluoroacetic Acid SCHEMBL6165963 | 0.86 | ITGB3 (0.55) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| SCHEMBL3052806 | 0.86 | ITGB3 (0.54) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| SCHEMBL6162794 | 0.84 | ITGB3 (0.57) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| SCHEMBL3046153 | 0.84 | ITGB3 (0.57) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| Hydrochloric Acid SCHEMBL6696125 | 0.83 | ITGB3 (0.56) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| SCHEMBL6830068 | 0.82 | ITGB3 (0.46) | ITGB3ITGAVITGB1ITGB6ITGB5 | |
| Dioxane SCHEMBL6167746 | 0.82 | ITGB3 (0.49) | ITGB3ITGAVITGB1ITGB6ITGB5 |
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-1254133-B9 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-09-07 | — | — | EP | disclosed |
| EP-1254133-B1 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2005-04-20 | — | — | EP | disclosed |
| EP-1254133-A2 | INDOL-3-YL DERIVATIVES | MERCK PATENT GmbH (DE) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058893-A2 | INDOL-3-YL DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS | MERCK PATENT GMBH (DE) | 2001-08-16 | — | — | WO | disclosed |