Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 14/20 | 0.44 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.41 |
| ▸ | TTK | P33981 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.37 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL2325615 | 0.92 | PLK1 (0.45) | PLK1BRD4BRDTTTK | |
| SCHEMBL2325432 | 0.91 | PLK1 (0.44) | PLK1BRD4BRDTTTK | |
| SCHEMBL2325894 | 0.91 | PLK1 (0.46) | PLK1BRD4BRDTTTK | |
| SCHEMBL2321921 | 0.91 | PLK1 (0.45) | PLK1BRD4BRDTTTK | |
| SCHEMBL2324931 | 0.90 | PLK1 (0.45) | PLK1BRD4BRDTTTK | |
| SCHEMBL2326310 | 0.90 | PLK1 (0.43) | PLK1BRD4BRDTTTK | |
| SCHEMBL2321132 | 0.90 | PLK1 (0.44) | PLK1BRD4BRDTTTK | |
| SCHEMBL2329486 | 0.89 | PLK1 (0.42) | PLK1BRD4BRDT | |
| SCHEMBL2329792 | 0.89 | PLK1 (0.42) | PLK1BRD4BRDTTTK | |
| SCHEMBL2327254 | 0.87 | PLK1 (0.43) | PLK1BRD4BRDTTTK |
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 |
|---|---|---|---|---|---|---|---|
| EP-2356122-A1 | PROTEIN KINASE INHIBITORS | Vertex Pharmceuticals Incorporated (US) | 2011-08-17 | — | — | EP | disclosed |
| WO-2010008454-A1 | PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-01-21 | — | — | WO | disclosed |