Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ULK1 | O75385 | 6/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.36 |
| ▸ | ITK | Q08881 | 3/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL16616663 | 0.81 | ULK1 (0.41) | ENPP2ATXN2POLBMAOAMAOB | |
| SCHEMBL15553437 | 0.81 | ENPP2 (0.77) | ENPP2ATXN2 | |
| SCHEMBL18315523 | 0.76 | ENPP2 (0.49) | ENPP2ATXN2POLBULK1L3MBTL1 | |
| SCHEMBL142543 | 0.75 | ULK1 (0.56) | POLBULK1L3MBTL1PDPK1 | |
| SCHEMBL16070870 | 0.71 | SMN1; SMN2 (0.46) | POLB | |
| SCHEMBL16069965 | 0.69 | TERT (0.48) | — | |
| SCHEMBL1247686 | 0.69 | ROCK2 (0.55) | POLBMAOAMAOBKDM4ETP53 | |
| SCHEMBL1156215 | 0.69 | PEPD (0.42) | PDPK1ROCK2ROCK1MAPT | |
| SCHEMBL9172845 | 0.68 | ROCK2 (0.54) | POLBMAOAMAOBKDM4ETP53 | |
| SCHEMBL14360693 | 0.68 | CA2 (0.46) | POLBKDM4ETP53ROCK2ROCK1 |
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-2861566-B1 | NEW DIAZASPIROCYCLOALKANE AND AZASPIROCYCLOALKANE | HOFFMANN LA ROCHE (CH) | 2016-12-21 | — | — | EP | claimed |