Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 4/20 | 0.35 |
| ▸ | MGAM | O43451 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SI | P14410 | 1/20 | 0.35 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.34 |
| ▸ | USP30 | Q70CQ3 | 3/20 | 0.33 |
| ▸ | SLC5A2 | P31639 | 2/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22360417 | 0.87 | HDAC1 (0.37) | ALDH1A1HDAC1HDAC2MGAMGAA | |
| SCHEMBL22360421 | 0.87 | ALDH1A1 (0.40) | ALDH1A1POLBHDAC1HDAC2GAA | |
| SCHEMBL22360428 | 0.85 | ALDH1A1 (0.45) | ALDH1A1GAANPC1SMN1; SMN2RAB9A | |
| SCHEMBL22360426 | 0.85 | KDM4E (0.45) | ALDH1A1HDAC1HDAC2NPC1SMN1; SMN2 | |
| SCHEMBL22360423 | 0.84 | HDAC1 (0.40) | ALDH1A1HDAC1HDAC2GAANPC1 | |
| SCHEMBL22360415 | 0.82 | ALDH1A1 (0.38) | ALDH1A1POLBGAANPC1SMN1; SMN2 | |
| SCHEMBL22360422 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HDAC6POLBHDAC1HDAC2 | |
| SCHEMBL22360427 | 0.82 | PTGS1 (0.30) | — | |
| SCHEMBL22360425 | 0.81 | MAPT (0.44) | ALDH1A1MGAMGAASIMGAM2 | |
| SCHEMBL22360430 | 0.81 | NPC1 (0.39) | ALDH1A1GAANPC1 |
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 |