Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 18/20 | 0.63 |
| ▸ | ITGAV | P06756 | 18/20 | 0.63 |
| ▸ | ITGB5 | P18084 | 3/20 | 0.61 |
| ▸ | ITGB6 | P18564 | 3/20 | 0.61 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7099614 | 0.86 | ITGB3 (0.47) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7105700 | 0.80 | ITGB3 (0.94) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7268367 | 0.76 | ITGB3 (1.00) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL6763742 | 0.72 | TBXAS1 (0.51) | ITGB3ITGAVITGA2BNR4A2 | |
| SCHEMBL7100379 | 0.72 | ITGB3 (0.60) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7267221 | 0.68 | ITGB3 (0.86) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7262407 | 0.68 | ITGB3 (0.86) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7100955 | 0.67 | ITGB3 (0.71) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7263097 | 0.66 | ITGB3 (0.71) | ITGB3ITGAVITGB5ITGB6ITGA2B | |
| SCHEMBL7104922 | 0.64 | ITGB3 (0.89) | ITGB3ITGAVITGB5ITGB6ITGA2B |
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 |
|---|---|---|---|---|---|---|---|
| US-6649613-B1 | Integrin inhibitors | MERCK PATENT GMBH (DE) | 2003-11-18 | — | — | US | disclosed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | disclosed |
| EP-1194401-A1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2002-04-10 | — | — | EP | disclosed |
| WO-2001005753-A1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2001-01-25 | — | — | WO | disclosed |