Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 6/20 | 0.52 |
| ▸ | MTOR | P42345 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | PAK1 | Q13153 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.43 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.42 |
| ▸ | STK4 | Q13043 | 2/20 | 0.42 |
| ▸ | STK3 | Q13188 | 2/20 | 0.42 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL10568602 | 0.86 | KDM4E (0.47) | PIK3CAMTORKDM4EGAAMEN1 | |
| Hydrochloric Acid SCHEMBL10567129 | 0.84 | GAA (0.46) | PIK3CAMTORKDM4EGAAMEN1 | |
| SCHEMBL10569576 | 0.83 | KDM1A (0.48) | PIK3CAMTORKDM4EGAAMEN1 | |
| SCHEMBL12499795 | 0.83 | PIK3CA (0.51) | PIK3CAMTORKDM4EGAAMEN1 | |
| SCHEMBL19241974 | 0.80 | KDM4E (0.54) | PIK3CAMTORKDM4EGAAMEN1 | |
| SCHEMBL14562510 | 0.79 | PIK3CA (0.60) | PIK3CAMTORKDM4EGAA | |
| SCHEMBL12499547 | 0.77 | PIK3CA (0.64) | PIK3CAMTOR | |
| SCHEMBL17623135 | 0.77 | KDM4E (0.70) | PIK3CAMTORKDM4EGAAMEN1 | |
| SCHEMBL13828994 | 0.73 | NUDT1 (0.46) | KDM4EGAAMEN1KMT2AMAPK1 | |
| SCHEMBL9767866 | 0.73 | HTT (0.46) | PIK3CAMTOR |
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-2668179-B1 | NEW 5-ALKYNYL-PYRIDINES | BOEHRINGER INGELHEIM INT (DE) | 2017-08-16 | — | — | EP | disclosed |