Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | P2RY12 | Q9H244 | 8/20 | 0.36 |
| ▸ | HRH2 | P25021 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ME2 | P23368 | 1/20 | 0.34 |
| ▸ | ME1 | P48163 | 1/20 | 0.34 |
| ▸ | ME3 | Q16798 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | SMO | Q99835 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29741933 | 0.87 | BTK (0.42) | ALDH1A1GAA | |
| SCHEMBL28357662 | 0.84 | RET (0.43) | — | |
| SCHEMBL29742086 | 0.79 | BTK (0.39) | HRH2HRH1 | |
| SCHEMBL29741744 | 0.79 | CDK5 (0.38) | SMN1; SMN2HRH2HRH1KDM4EHSD17B10 | |
| SCHEMBL29742148 | 0.78 | BTK (0.39) | — | |
| SCHEMBL29742005 | 0.78 | BTK (0.40) | P2RY12HRH2HRH1LMNA | |
| SCHEMBL29925252 | 0.77 | NAMPT (0.41) | HRH2HRH1 | |
| SCHEMBL28361435 | 0.76 | MKNK1 (0.39) | — | |
| SCHEMBL29741992 | 0.76 | SMN1; SMN2 (0.47) | SMN1; SMN2HPGDP2RY12HRH2HRH1 | |
| SCHEMBL14912769 | 0.74 | BTK (0.39) | — |
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 |