Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.31 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360427 | 0.81 | PTGS1 (0.30) | — | |
| SCHEMBL22360387 | 0.81 | ALDH1A1 (0.40) | NPC1ALDH1A1GAA | |
| SCHEMBL22360425 | 0.81 | MAPT (0.44) | ALDH1A1MAPTGAA | |
| SCHEMBL22360429 | 0.80 | AGPAT2 (0.36) | ALDH1A1MEN1MAPTKMT2AGAA | |
| SCHEMBL22360424 | 0.80 | KDM4E (0.45) | ALDH1A1CYP3A4CYP2D6MAPTCYP2C9 | |
| SCHEMBL22360428 | 0.77 | ALDH1A1 (0.45) | NPC1ALDH1A1NPSR1MEN1CYP1A2 | |
| SCHEMBL22360415 | 0.77 | ALDH1A1 (0.38) | NPC1ALDH1A1NPSR1MEN1MAPT | |
| SCHEMBL22360417 | 0.76 | HDAC1 (0.37) | NPC1ALDH1A1NPSR1MEN1CYP1A2 | |
| SCHEMBL22360421 | 0.76 | ALDH1A1 (0.40) | NPC1ALDH1A1NPSR1MEN1CYP1A2 | |
| SCHEMBL22360490 | 0.73 | NPC1 (0.42) | NPC1ALDH1A1NPSR1MEN1CYP1A2 |
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 |