Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 5/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24024734 | 0.80 | MEN1 (0.54) | CA12CA9AURKATPX2KIF11 | |
| SCHEMBL13581008 | 0.76 | KDM4E (0.49) | CA12CA9AURKATPX2KIF11 | |
| SCHEMBL3581452 | 0.75 | AR (0.46) | CA12CA9AURKATPX2KIF11 | |
| SCHEMBL28032605 | 0.74 | CHEK1 (0.52) | CA12CA9AURKATPX2AKR1C2 | |
| SCHEMBL12890142 | 0.73 | ALDH1A1 (0.51) | KIF11SCN5AMAPTGAAL3MBTL1 | |
| SCHEMBL20529653 | 0.73 | MAPT (0.49) | CA12CA9AURKATPX2KIF11 | |
| SCHEMBL13581015 | 0.72 | KIF11 (0.41) | CA12CA9AURKATPX2KIF11 | |
| SCHEMBL1242144 | 0.72 | KIF11 (0.52) | AURKATPX2KIF11SCN5ANOTUM | |
| SCHEMBL14480999 | 0.71 | KMT2A (0.64) | AURKATPX2AKR1C2AKR1C1CHEK1 | |
| SCHEMBL1241524 | 0.70 | ABL1 (0.54) | CA12CA9AURKATPX2KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104955826-B | It can be used for treating spiral shell-Quinzolone derivatives of neurological disorder and illness | 默克专利股份公司 | 2019-05-31 | — | — | CN | disclosed |