Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK7 | Q13164 | 6/20 | 0.55 |
| ▸ | BRD4 | O60885 | 3/20 | 0.55 |
| ▸ | TTR | P02766 | 3/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | HTR6 | P50406 | 2/20 | 0.44 |
| ▸ | 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 |
| ▸ | DCLK1 | O15075 | 3/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL17059804 | 0.84 | MAPK7 (0.54) | MAPK7BRD4TTRCES1DRD2 | |
| SCHEMBL18379111 | 0.84 | MAPK7 (0.54) | MAPK7BRD4TTRCES1DRD2 | |
| SCHEMBL19496075 | 0.84 | APP (0.41) | MAPK7BRD4PIK3CDAURKAPIK3C2G | |
| SCHEMBL12059596 | 0.78 | TTR (0.69) | TTRCES1DRD2HTR6LRRK2 | |
| SCHEMBL18369886 | 0.78 | MAPK7 (0.57) | MAPK7BRD4TTRCES1PIK3CD | |
| SCHEMBL16127516 | 0.78 | TTR (0.75) | TTRCES1DRD2HTR6LRRK2 | |
| SCHEMBL18369884 | 0.75 | MAPK7 (0.54) | MAPK7BRD4TTRCES1PIK3CD | |
| SCHEMBL18369826 | 0.75 | MAPK7 (0.54) | MAPK7BRD4PIK3CDAURKAPIK3C2G | |
| SCHEMBL17721092 | 0.75 | MAPK7 (0.57) | MAPK7BRD4TTRCES1PIK3CD | |
| SCHEMBL18369848 | 0.74 | MAPK7 (0.53) | MAPK7BRD4TTRCES1PIK3CD |
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-3738964-A1 | PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS | Dana Farber Cancer Institute, Inc. (US) | 2020-11-18 | — | — | EP | disclosed |
| EP-3670515-A1 | PYRIMIDO-DIAZEPINONE COMPOUNDS AND METHODS OF TREATING DISORDERS | Dana Farber Cancer Institute, Inc. (US) | 2020-06-24 | — | — | EP | disclosed |