Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 13/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.49 |
| ▸ | TSHR | P16473 | 5/20 | 0.49 |
| ▸ | NPFFR1 | Q9GZQ6 | 1/20 | 0.47 |
| ▸ | NPFFR2 | Q9Y5X5 | 1/20 | 0.47 |
| ▸ | P4HB | P07237 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14962729 | 0.86 | CYP2D6 (0.53) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL14962728 | 0.86 | CYP2D6 (0.53) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL14677254 | 0.86 | CYP2D6 (0.53) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL14957149 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL14957312 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL14965694 | 0.81 | CYP2D6 (0.54) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL31334693 | 0.81 | NPFFR1 (0.53) | CYP2D6CYP3A4TSHRNPFFR1NPFFR2 | |
| SCHEMBL2158292 | 0.81 | DRD2 (0.53) | CYP2D6CYP3A4TSHRNPFFR1NPFFR2 | |
| SCHEMBL21262272 | 0.79 | CYP2D6 (0.60) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 | |
| SCHEMBL1426231 | 0.78 | CYP2D6 (0.64) | CYP2D6CYP3A4TSHRCYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011088045-A1 | AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE | AMBIT BIOSCIENCES CORPORATION (US) | 2011-07-21 | — | — | WO | disclosed |