Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.33 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | TGM2 | P21980 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL6124828 | 0.90 | HDAC1 (0.35) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL7941871 | 0.90 | HDAC1 (0.35) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL13435766 | 0.81 | ATM (0.32) | — | |
| SCHEMBL13071444 | 0.80 | ITGB3 (0.37) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL8203250 | 0.80 | F2 (0.41) | HDAC1HDAC4ITGB3ITGA2BCTSL | |
| SCHEMBL6383995 | 0.80 | ITGB3 (0.39) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL13435882 | 0.80 | F2 (0.40) | ITGB3ITGA2B | |
| SCHEMBL14216849 | 0.78 | HDAC1 (0.32) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL13071545 | 0.77 | HDAC1 (0.39) | HDAC1HDAC8HDAC4ITGB3ITGA2B | |
| SCHEMBL10166392 | 0.77 | HDAC1 (0.35) | HDAC1HDAC8HDAC4ITGB3ITGA2B |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2323981-B1 | PROCESS FOR THE PREPARATION OF A MACROCYCLE | HOFFMANN LA ROCHE (CH) | 2014-03-12 | — | — | EP | disclosed |