Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 15/20 | 0.42 |
| ▸ | WNT3A | P56704 | 2/20 | 0.39 |
| ▸ | CDK4 | P11802 | 2/20 | 0.38 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.38 |
| ▸ | CCND1 | P24385 | 1/20 | 0.38 |
| ▸ | CCND2 | P30279 | 1/20 | 0.38 |
| ▸ | CCND3 | P30281 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29742086 | 0.88 | BTK (0.39) | BTKCDK4CCND1CCND2CCND3 | |
| SCHEMBL29742089 | 0.87 | SMN1; SMN2 (0.36) | ALDH1A1GAA | |
| SCHEMBL29742153 | 0.85 | BTK (0.37) | BTKCDK4CCND1CCND2CCND3 | |
| SCHEMBL10256044 | 0.84 | WNT3A (0.48) | BTKWNT3ACDK4CDK6CCND1 | |
| SCHEMBL1393847 | 0.84 | BTK (0.47) | BTK | |
| SCHEMBL29742005 | 0.82 | BTK (0.40) | BTK | |
| SCHEMBL14925821 | 0.82 | BTK (0.44) | BTK | |
| SCHEMBL29925252 | 0.81 | NAMPT (0.41) | BTKWNT3A | |
| SCHEMBL14912769 | 0.81 | BTK (0.39) | BTK | |
| SCHEMBL1392842 | 0.81 | BTK (0.49) | BTKWNT3ACDK4CDK6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4050012-A1 | PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2022-08-31 | — | — | EP | disclosed |
| EP-4019508-A1 | HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY | F. Hoffmann-La Roche AG (CH) | 2022-06-29 | — | — | EP | disclosed |