Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | BCHE | P06276 | 5/20 | 0.57 |
| ▸ | ACHE | P22303 | 4/20 | 0.57 |
| ▸ | BACE1 | P56817 | 4/20 | 0.57 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.53 |
| ▸ | KAT2B | Q92831 | 5/20 | 0.52 |
| ▸ | CCR2 | P41597 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL12032723 | 1.00 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL1934499 | 0.98 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL17619738 | 0.90 | BCHE (0.69) | BCHEACHEBACE1 | |
| Hydrochloric Acid SCHEMBL17610273 | 0.89 | BCHE (0.68) | BCHEACHEBACE1 | |
| Trifluoroacetic Acid SCHEMBL12539127 | 0.88 | ALDH1A1 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL16386020 | 0.86 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL6128786 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL2730825 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL350928 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL17377408 | 0.84 | CYP1A2 (0.60) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020234379-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING A BTK INHIBITOR | JANSSEN PHARMACEUTICA NV (BE) | 2020-11-26 | — | — | WO | disclosed |
| WO-2014139970-A1 | PROCESSES AND INTERMEDIATES FOR PREPARING A MEDICAMENT | JANSSEN PHARMACEUTICA NV (BE) | 2014-09-18 | — | — | WO | disclosed |