Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 6/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 6/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | NOS2 | P35228 | 4/20 | 0.33 |
| ▸ | NOS1 | P29475 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HRH2 | P25021 | 2/20 | 0.33 |
| ▸ | HRH1 | P35367 | 2/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 1/20 | 0.33 |
| ▸ | MMP13 | P45452 | 1/20 | 0.33 |
| ▸ | CALCRL | Q16602 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14926052 | 0.84 | PIK3CA (0.43) | CDK5CDK5R1KDM4E | |
| SCHEMBL29742089 | 0.79 | SMN1; SMN2 (0.36) | LMNAHRH2HRH1KDM4EHSD17B10 | |
| SCHEMBL29741933 | 0.78 | BTK (0.42) | — | |
| SCHEMBL29742153 | 0.77 | BTK (0.37) | LMNA | |
| SCHEMBL29742148 | 0.76 | BTK (0.39) | — | |
| SCHEMBL14926055 | 0.76 | WDR5 (0.41) | CDK5CDK5R1 | |
| SCHEMBL29742005 | 0.76 | BTK (0.40) | LMNAHRH2HRH1 | |
| SCHEMBL29742104 | 0.73 | SMN1; SMN2 (0.44) | CDK5CDK5R1CHRM2CHRM1NOS2 | |
| SCHEMBL29925252 | 0.73 | NAMPT (0.41) | HRH2HRH1 | |
| SCHEMBL29742086 | 0.73 | BTK (0.39) | HRH2HRH1 |
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 |