Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.39 |
| ▸ | RAB9A | P51151 | 6/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.39 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22360386 | 0.88 | CASP3 (0.53) | NPC1ALDH1A1NPSR1SMN1; SMN2MAPT | |
| SCHEMBL22360411 | 0.82 | TSHR (0.39) | NPC1SMN1; SMN2MAPTRAB9ATSHR | |
| SCHEMBL22360377 | 0.82 | RAB9A (0.55) | NPC1ALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL22360412 | 0.82 | MAPT (0.42) | NPC1SMN1; SMN2MAPTRAB9ATSHR | |
| SCHEMBL22360407 | 0.81 | MAPT (0.42) | NPC1ALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL22360403 | 0.79 | SMN1; SMN2 (0.55) | NPC1SMN1; SMN2MAPTRAB9ATSHR | |
| SCHEMBL22360388 | 0.79 | ACLY (0.42) | NPC1SMN1; SMN2MAPTRAB9ATP53 | |
| SCHEMBL22360413 | 0.79 | HDAC1 (0.43) | NPC1ALDH1A1SMN1; SMN2MAPTRAB9A | |
| SCHEMBL22360490 | 0.79 | NPC1 (0.42) | NPC1ALDH1A1NPSR1SMN1; SMN2MAPT | |
| SCHEMBL22360409 | 0.78 | TDP1 (0.51) | NPC1ALDH1A1NPSR1SMN1; SMN2MAPT |
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 |