Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK7 | Q13164 | 8/20 | 0.49 |
| ▸ | TTR | P02766 | 2/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 6/20 | 0.48 |
| ▸ | DCLK1 | O15075 | 6/20 | 0.48 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.47 |
| ▸ | AURKA | O14965 | 3/20 | 0.47 |
| ▸ | PIK3C2G | O75747 | 3/20 | 0.47 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 3/20 | 0.47 |
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.42 |
| ▸ | NUAK1 | O60285 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 4/20 | 0.41 |
| ▸ | BRDT | Q58F21 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29531391 | 1.00 | MAPK7 (0.49) | MAPK7TTRCES1LRRK2DCLK1 | |
| Hydrochloric Acid SCHEMBL29530065 | 0.98 | MAPK7 (0.48) | MAPK7TTRCES1LRRK2DCLK1 | |
| SCHEMBL29582820 | 0.84 | DCLK1 (0.48) | MAPK7TTRCES1LRRK2DCLK1 | |
| SCHEMBL16127516 | 0.78 | TTR (0.75) | TTRCES1LRRK2DRD2HTR6 | |
| SCHEMBL17721092 | 0.78 | MAPK7 (0.57) | MAPK7TTRCES1LRRK2DCLK1 | |
| SCHEMBL10098691 | 0.77 | MAPK7 (0.56) | MAPK7TTRCES1LRRK2DCLK1 | |
| SCHEMBL10098766 | 0.77 | DCLK1 (0.58) | MAPK7TTRCES1LRRK2DCLK1 | |
| SCHEMBL12059596 | 0.74 | TTR (0.69) | TTRCES1LRRK2DRD2HTR6 | |
| SCHEMBL29583687 | 0.74 | CASP3 (0.40) | MAPK7TTRCES1CASP3BRD4 | |
| SCHEMBL17519893 | 0.72 | DCLK1 (0.78) | MAPK7LRRK2DCLK1PIK3CDAURKA |
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 |