Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.34 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28750703 | 0.83 | ALDH1A1 (0.37) | KDM4EHTTTSHRMAPTSMN1; SMN2 | |
| SCHEMBL7012302 | 0.80 | SLC6A2 (0.42) | KDM4EHTTTSHRMAPTSMN1; SMN2 | |
| SCHEMBL7013419 | 0.78 | GSK3B (0.42) | DRD2DRD3 | |
| SCHEMBL8404656 | 0.75 | TSHR (0.41) | KDM4EHTTTSHRMAPTSMN1; SMN2 | |
| SCHEMBL10935921 | 0.75 | BRD4 (0.56) | KDM4EHTTTSHRMAPTSMN1; SMN2 | |
| SCHEMBL28989250 | 0.72 | BRD4 (0.40) | TSHRMAPTSMN1; SMN2BRD4ALDH1A1 | |
| SCHEMBL14163064 | 0.71 | HTT (0.42) | KDM4EHTTTSHRMAPTSMN1; SMN2 | |
| SCHEMBL24005868 | 0.71 | DRD2 (0.37) | SLC6A4DRD2DRD3 | |
| SCHEMBL10382643 | 0.71 | GSK3B (0.46) | HTTSMN1; SMN2BRD4ALDH1A1 | |
| SCHEMBL10349839 | 0.71 | GSK3B (0.47) | MAPTBRD4ALDH1A1MEN1KMT2A |
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-1268431-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | Wyeth (US) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001072711-A1 | 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS | WYETH (US) | 2001-10-04 | — | — | WO | disclosed |