Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 6/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.55 |
| ▸ | MTOR | P42345 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.40 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.40 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.40 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL5172960 | 0.88 | PLK1 (0.62) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5173246 | 0.86 | PLK1 (0.60) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5171117 | 0.83 | PLK1 (0.71) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| Cyclapolin 9 SCHEMBL31560145 | 0.82 | PLK1 (1.00) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| Cyclapolin 9 SCHEMBL5055142 | 0.82 | PLK1 (1.00) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5173442 | 0.79 | PLK1 (0.69) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5170233 | 0.79 | PLK1 (0.69) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| Hydroxyamine SCHEMBL6275415 | 0.79 | PLK1 (0.80) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| Cyclapolin 10 SCHEMBL5173340 | 0.77 | PLK1 (0.77) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL5172390 | 0.75 | PLK1 (0.74) | PLK1CYP3A4CYP2C19CYP1A2CYP2D6 |
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-1589967-B1 | BENZTHIAZOLE-3 OXIDES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | CYCLACEL LTD (GB) | 2007-05-09 | — | — | EP | claimed |