Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | QPCT | Q16769 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 3/20 | 0.35 |
| ▸ | PPARD | Q03181 | 3/20 | 0.35 |
| ▸ | PPARA | Q07869 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 2/20 | 0.33 |
| ▸ | KIF11 | P52732 | 2/20 | 0.33 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360383 | 0.88 | CTSS (0.32) | QPCTNAAAIDO1 | |
| SCHEMBL22360417 | 0.86 | HDAC1 (0.37) | HDAC1HDAC2NPC1ALDH1A1GAA | |
| SCHEMBL22360422 | 0.86 | ALDH1A1 (0.41) | HDAC1HDAC2NPC1ALDH1A1GAA | |
| SCHEMBL22360421 | 0.84 | ALDH1A1 (0.40) | HDAC1HDAC2NPC1ALDH1A1GAA | |
| SCHEMBL22360387 | 0.84 | ALDH1A1 (0.40) | HDAC1HDAC2NPC1ALDH1A1GAA | |
| SCHEMBL22360426 | 0.82 | KDM4E (0.45) | HDAC1HDAC2NPC1ALDH1A1KDM4E | |
| SCHEMBL22360425 | 0.79 | MAPT (0.44) | ALDH1A1GAAKDM4EMAPTS1PR1 | |
| SCHEMBL22360427 | 0.77 | PTGS1 (0.30) | — | |
| SCHEMBL22360428 | 0.75 | ALDH1A1 (0.45) | NPC1ALDH1A1GAAKDM4EMEN1 | |
| SCHEMBL22360487 | 0.75 | POLB (0.42) | QPCTNPC1ALDH1A1KDM4EMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020164403-A1 | 1,1-DICYANO-OXIME-ETHER COMPOUND AND APPLICATION THEREOF | 沈阳化工大学 | 2020-08-20 | — | — | WO | disclosed |