Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | XDH | P47989 | 1/20 | 0.59 |
| ▸ | KMO | O15229 | 2/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | CTSS | P25774 | 3/20 | 0.49 |
| ▸ | CTSK | P43235 | 2/20 | 0.49 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.46 |
| ▸ | PIM1 | P11309 | 2/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.44 |
| ▸ | GPX4 | P36969 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.44 |
| ▸ | BRSK1 | Q8TDC3 | 1/20 | 0.44 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4058328 | 0.84 | PDE2A (0.47) | XDHMAOBNOTUMPARP1GSK3B | |
| SCHEMBL3451431 | 0.78 | XDH (0.49) | XDHKMONOTUMMAPTGSK3B | |
| SCHEMBL28199707 | 0.78 | XDH (0.62) | XDHCTSSCTSK | |
| SCHEMBL311778 | 0.78 | IDO1 (0.54) | XDHKMOIDO1CTSSCTSK | |
| Hydrochloric Acid SCHEMBL29856925 | 0.76 | XDH (0.47) | XDHKMONOTUMMAPTGSK3B | |
| SCHEMBL29417235 | 0.75 | TRPV4 (0.44) | MAP4K4 | |
| SCHEMBL1769732 | 0.75 | JAK2 (0.62) | XDHKMOIDO1CTSSMAOB | |
| SCHEMBL7782564 | 0.74 | DAO (0.49) | KDRMAPK14TNNI3K | |
| SCHEMBL11515630 | 0.73 | IDO1 (0.60) | XDHKMOIDO1CTSSMAOB | |
| SCHEMBL6284522 | 0.71 | DGAT1 (0.52) | XDHIDO1MAOBNOTUMMAPT |
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-104860937-B | Suppress the compound of function with beta-secretase, prepare method of the compound and application thereof | 北京大学 | 2018-02-06 | — | — | CN | disclosed |