Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | DBH | P09172 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | CBS | P35520 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL19350085 | 0.71 | ADORA1 (0.39) | CYP1A2GAAADORA1 | |
| SCHEMBL2606782 | 0.69 | KDM4E (0.35) | KEAP1NFE2L2KDM4ECYP1A2GAA | |
| SCHEMBL2118833 | 0.69 | MAPT (0.36) | KEAP1NFE2L2KDM4ECYP1A2GAA | |
| SCHEMBL17297999 | 0.66 | KDM4E (0.44) | KEAP1NFE2L2KDM4ECYP1A2PKM | |
| SCHEMBL2116156 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL2118014 | 0.64 | DAO (0.45) | GAA | |
| SCHEMBL11976387 | 0.64 | KDM4E (0.53) | KDM4EGAAPKMHPGDALDH1A1 | |
| SCHEMBL2551804 | 0.64 | MAPK1 (0.50) | KDM4EGAAPKMALDH1A1SMN1; SMN2 | |
| SCHEMBL4539903 | 0.62 | — | — | |
| SCHEMBL21341793 | 0.62 | KDM4E (0.43) | KEAP1NFE2L2KDM4ECYP1A2GAA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009103950-A1 | FLUORINATED PYRIDIN-4-0NES | BTG INTERNATIONAL LIMITED (GB) | 2009-08-27 | — | — | WO | disclosed |
| WO-2009103950-A1 | FLUORINATED PYRIDIN-4-0NES | BTG INTERNATIONAL LIMITED (GB) | 2009-08-27 | — | — | WO | disclosed |