Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | HEXA | P06865 | 1/20 | 0.37 |
| ▸ | HEXB | P07686 | 1/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | UBE2N | P61088 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | MLYCD | O95822 | 2/20 | 0.36 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9416881 | 0.85 | PTGS2 (0.52) | ESR1ESR2PTGS2PTGS1KDM4E | |
| SCHEMBL9416820 | 0.83 | PTGS1 (0.43) | ESR1ESR2PTGS2PTGS1HEXA | |
| SCHEMBL8765879 | 0.83 | ESR1 (0.56) | ESR1ESR2PTGS2PTGS1MAP4K4 | |
| SCHEMBL9416851 | 0.83 | MLYCD (0.48) | ESR1ESR2PTGS2HEXAHEXB | |
| SCHEMBL10503592 | 0.73 | MLYCD (0.64) | MLYCDBRD4ENPP1TDO2 | |
| SCHEMBL5324584 | 0.70 | IDO1 (0.37) | ALDH1A1BRD4 | |
| SCHEMBL8765096 | 0.70 | L3MBTL1 (0.45) | ESR1ESR2PTGS2PTGS1MAP4K4 | |
| SCHEMBL20837302 | 0.67 | ENPP1 (0.41) | HEXAHEXBMEN1KMT2AIKBKB | |
| SCHEMBL19367734 | 0.66 | BRD4 (0.72) | HEXAHEXBKDM4EIKBKBMLYCD | |
| SCHEMBL10200524 | 0.63 | MAP4K4 (0.56) | PTGS2PTGS1MAP4K4MLYCDBRD4 |
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-0220947-B1 | Polyfluoroalkylisoxazolylamines, their preparation and use | SHIONOGI & CO (JP) | 1994-06-15 | — | — | EP | claimed |
| EP-0220947-A2 | Polyfluoroalkylisoxazolylamines, their preparation and use | SHIONOGI & CO., LTD. (JP) | 1987-05-06 | — | — | EP | claimed |