Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGAV | P06756 | 19/20 | 0.66 |
| ▸ | ITGB3 | P05106 | 18/20 | 0.66 |
| ▸ | ITGB6 | P18564 | 8/20 | 0.66 |
| ▸ | ITGB5 | P18084 | 7/20 | 0.66 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.57 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.46 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7099706 | 0.93 | ITGAV (0.77) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7100486 | 0.92 | ITGAV (0.62) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7105210 | 0.91 | ITGAV (0.59) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7103817 | 0.88 | ITGAV (0.61) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7099672 | 0.83 | ITGAV (0.78) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7267221 | 0.82 | ITGB3 (0.86) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7262407 | 0.82 | ITGB3 (0.86) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7104917 | 0.81 | ITGAV (0.61) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL7102208 | 0.80 | ITGAV (0.58) | ITGAVITGB3ITGB6ITGB5ITGA2B | |
| SCHEMBL12259087 | 0.80 | ITGAV (1.00) | 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 8 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 | claimed |
| EP-1194401-B1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2003-09-10 | — | — | EP | claimed |
| EP-1194401-A1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GmbH (DE) | 2002-04-10 | — | — | EP | claimed |
| WO-2001005753-A1 | DIACYLHYDRAZINE DERIVATIVES | MERCK PATENT GMBH (DE) | 2001-01-25 | — | — | WO | claimed |
| 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 |