Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK7 | Q13164 | 8/20 | 0.52 |
| ▸ | LRRK2 | Q5S007 | 8/20 | 0.51 |
| ▸ | DCLK1 | O15075 | 8/20 | 0.51 |
| ▸ | BRD4 | O60885 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | MPI | P34949 | 1/20 | 0.46 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.46 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.43 |
| ▸ | AURKA | O14965 | 3/20 | 0.43 |
| ▸ | PIK3C2G | O75747 | 3/20 | 0.43 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.43 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.43 |
| ▸ | DRD2 | P14416 | 2/20 | 0.42 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20094162 | 0.86 | MAPK7 (0.51) | MAPK7LRRK2DCLK1BRD4ALDH1A1 | |
| SCHEMBL17721092 | 0.85 | MAPK7 (0.57) | MAPK7LRRK2DCLK1BRD4PIK3CD | |
| SCHEMBL9370046 | 0.79 | BRD4 (0.48) | MAPK7LRRK2DCLK1BRD4ALDH1A1 | |
| SCHEMBL9372896 | 0.78 | ALDH1A1 (0.47) | MAPK7LRRK2DCLK1BRD4ALDH1A1 | |
| SCHEMBL21311761 | 0.76 | MAPT (0.67) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL20094144 | 0.76 | DCLK1 (0.80) | MAPK7LRRK2DCLK1BRD4PIK3CD | |
| SCHEMBL20094196 | 0.75 | LRRK2 (0.76) | MAPK7LRRK2DCLK1BRD4 | |
| SCHEMBL20094177 | 0.75 | PIK3CG (0.80) | MAPK7LRRK2DCLK1BRD4PIK3CD | |
| SCHEMBL22473980 | 0.73 | ALDH1A1 (0.65) | ALDH1A1HPGDCASP1MPICACNA1B | |
| SCHEMBL8791127 | 0.73 | BRD4 (0.48) | BRD4ALDH1A1HPGDCASP1MPI |
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 |
|---|---|---|---|---|---|---|---|
| EP-2379559-B1 | PYRIMIDO-DIAZEPINONE KINASE SCAFFOLD COMPOUNDS AND METHODS OF TREATING DISORDERS | DANA FARBER CANCER INST INC (US) | 2017-10-25 | — | — | EP | disclosed |