Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 13/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 11/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | ROS1 | P08922 | 3/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4771962 | 0.83 | HDAC1 (0.44) | HDAC1HDAC6CYP2A6CYP3A4CYP2C9 | |
| SCHEMBL4771979 | 0.83 | HDAC1 (0.44) | HDAC1HDAC6CYP2A6CYP3A4CYP2C9 | |
| SCHEMBL2238098 | 0.79 | PTGDR (0.53) | CYP2A6CYP3A4CYP2C9SLC2A1 | |
| SCHEMBL2240945 | 0.79 | GBA1 (0.54) | CYP2A6CYP3A4CYP2C9SLC2A1 | |
| SCHEMBL2237295 | 0.78 | CYP2A6 (0.45) | HDAC1CYP2A6CYP3A4CYP2C9SLC2A1 | |
| SCHEMBL2242475 | 0.78 | PTGDR (0.54) | CYP2A6CYP3A4CYP2C9SLC2A1 | |
| SCHEMBL3630638 | 0.77 | SMN1; SMN2 (0.55) | ABL1BCR | |
| SCHEMBL2237320 | 0.77 | HIF1A (0.47) | HDAC1CYP2A6CYP3A4CYP2C9SLC2A1 | |
| SCHEMBL4777383 | 0.77 | METAP1 (0.47) | HDAC1HDAC6CYP3A4CYP2C9ROS1 | |
| SCHEMBL4769037 | 0.77 | GSK3A (0.43) | HDAC1HDAC6CYP2A6CYP3A4CYP2C9 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |