Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 20/20 | 0.65 |
| ▸ | KDR | P35968 | 5/20 | 0.65 |
| ▸ | GAK | O14976 | 1/20 | 0.65 |
| ▸ | ACOX3 | O15254 | 1/20 | 0.65 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.65 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.65 |
| ▸ | EGFR | P00533 | 1/20 | 0.65 |
| ▸ | ESR1 | P03372 | 1/20 | 0.65 |
| ▸ | PGR | P06401 | 1/20 | 0.65 |
| ▸ | RET | P07949 | 1/20 | 0.65 |
| ▸ | ROS1 | P08922 | 1/20 | 0.65 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.65 |
| ▸ | PHKG2 | P15735 | 1/20 | 0.65 |
| ▸ | FER | P16591 | 1/20 | 0.65 |
| ▸ | EPHA1 | P21709 | 1/20 | 0.65 |
| ▸ | DRD1 | P21728 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.65 |
| ▸ | PDE4A | P27815 | 1/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.65 |
| ▸ | DRD3 | P35462 | 1/20 | 0.65 |
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 | |
|---|---|---|---|---|
| SCHEMBL20634798 | 0.92 | ALK (0.74) | ALKKDRGAKACOX3NR1I2 | |
| SCHEMBL898093 | 0.85 | ALK (0.83) | ALKKDRGAKACOX3NR1I2 | |
| SCHEMBL20004242 | 0.81 | ALK (0.62) | ALKKDRGAKACOX3NR1I2 | |
| SCHEMBL28960826 | 0.80 | ALK (0.57) | ALKKDRGAKACOX3NR1I2 | |
| SCHEMBL20366603 | 0.79 | ALK (0.47) | ALKKDRGAKACOX3NR1I2 | |
| Alectinib SCHEMBL18631602 | 0.79 | ALK (1.00) | ALKKDRGAKACOX3NR1I2 | |
| SCHEMBL28354867 | 0.79 | ALK (0.73) | ALKKDRGAKACOX3NR1I2 | |
| Alectinib SCHEMBL896753 | 0.79 | ALK (1.00) | ALKKDRGAKACOX3NR1I2 | |
| Alectinib SCHEMBL29352499 | 0.79 | ALK (1.00) | ALKKDRGAKACOX3NR1I2 | |
| SCHEMBL14990945 | 0.79 | ALK (0.56) | ALKKDRGAKACOX3NR1I2 |
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-2975024-B1 | TETRACYCLIC COMPOUNDS | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2018-03-28 | — | — | EP | disclosed |