Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | GABRP | O00591 | 2/20 | 0.41 |
| ▸ | GABRD | O14764 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRE | P78334 | 2/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6048891 | 0.95 | KIF11 (0.47) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL29291020 | 0.90 | KIF11 (0.52) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL159977 | 0.88 | KIF11 (0.50) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL11577428 | 0.88 | KIF11 (0.53) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL3935135 | 0.84 | KIF11 (0.46) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL175508 | 0.84 | KIF11 (0.50) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL31433120 | 0.84 | KIF11 (0.46) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL1000879 | 0.83 | CTSV (0.51) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL8026803 | 0.83 | MAPT (0.52) | KIF11KDM4EMAPTMAPK1NPSR1 | |
| SCHEMBL9931700 | 0.83 | CTSV (0.51) | KIF11KDM4EMAPTMAPK1NPSR1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112812133-B | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2022-03-11 | — | — | CN | claimed |
| CN-112812133-A | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2021-05-18 | — | — | CN | claimed |
| CN-112812133-B | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2022-03-11 | — | — | CN | disclosed |
| CN-112812133-A | Alpha, alpha-difluoroallyl organometallic compound and preparation method and application thereof | 南京工业大学 | 2021-05-18 | — | — | CN | disclosed |