Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 4/20 | 0.54 |
| ▸ | ACHE | P22303 | 3/20 | 0.54 |
| ▸ | BACE1 | P56817 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL3367341 | 0.84 | CYP2D6 (0.60) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL17301755 | 0.81 | CYP2D6 (0.56) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL41919 | 0.80 | ACHE (0.62) | ALDH1A1BCHEACHEBACE1 | |
| SCHEMBL7387696 | 0.79 | CYP2D6 (0.66) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL4815665 | 0.77 | CYP2D6 (0.68) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL20038514 | 0.76 | MAPK1 (0.41) | ALDH1A1KDM4E | |
| SCHEMBL20038497 | 0.76 | PDE2A (0.38) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL8631647 | 0.76 | CYP2D6 (0.62) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL22755862 | 0.76 | CYP2D6 (0.66) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL21419827 | 0.76 | CYP2D6 (0.66) | CYP2D6CYP3A4ALDH1A1CYP1A2CYP2C19 |
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-2017134588-A1 | PROCESS FOR THE PREPARATION OF IBRUTINIB | SHILPA MEDICARE LIMITED (IN) | 2017-08-10 | — | — | WO | disclosed |