Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 13/20 | 0.47 |
| ▸ | ITGAV | P06756 | 9/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.47 |
| ▸ | ITGB5 | P18084 | 2/20 | 0.47 |
| ▸ | ITGB6 | P18564 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 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 | |
|---|---|---|---|---|
| SCHEMBL7103319 | 0.91 | ITGB3 (0.46) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL12259092 | 0.83 | ITGB3 (0.68) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL6937672 | 0.79 | EPHX2 (0.37) | ITGB3ITGA2B | |
| SCHEMBL12026728 | 0.77 | ITGB3 (0.54) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7099318 | 0.77 | ITGB3 (0.42) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7100423 | 0.77 | ITGB3 (0.61) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7100320 | 0.76 | LMNA (0.42) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL8619040 | 0.76 | ITGB3 (0.52) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7100486 | 0.74 | ITGAV (0.62) | ITGB3ITGAVITGA2BITGB5ITGB6 | |
| SCHEMBL7099303 | 0.74 | KDM4E (0.43) | ITGB3ITGAVITGA2BITGB5ITGB6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |