Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 10/20 | 0.50 |
| ▸ | CTSS | P25774 | 4/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 8/20 | 0.44 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.44 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12015102 | 0.95 | CTSK (0.49) | CTSKCTSSITGB3ITGA2BHDAC4 | |
| SCHEMBL2804552 | 0.95 | CTSK (0.49) | CTSKCTSSITGB3ITGA2BHDAC4 | |
| SCHEMBL27426690 | 0.90 | CTSK (0.50) | CTSKCTSSITGB3ITGA2BHDAC4 | |
| SCHEMBL7782848 | 0.90 | CTSK (0.49) | CTSKCTSSITGB3ITGA2BHDAC4 | |
| SCHEMBL7977067 | 0.87 | CTSK (0.65) | CTSKCTSS | |
| SCHEMBL205184 | 0.87 | CTSK (0.51) | CTSKCTSSITGB3ITGA2B | |
| SCHEMBL1487792 | 0.87 | CTSK (0.51) | CTSKCTSSITGB3ITGA2B | |
| SCHEMBL17603548 | 0.87 | CTSK (0.50) | CTSKCTSSITGB3ITGA2BHDAC4 | |
| SCHEMBL5967151 | 0.87 | CTSK (0.65) | CTSKCTSS | |
| SCHEMBL8577155 | 0.87 | CTSK (0.65) | CTSKCTSS |
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 |
|---|---|---|---|---|---|---|---|
| US-7704924-B2 | Library of compounds comprising pyrrolobenzodiazepine moieties | SPIROGEN LIMITED (GB) | 2010-04-27 | — | — | US | disclosed |