Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | GUSB | P08236 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL22360421 | 0.87 | ALDH1A1 (0.40) | HDAC1HDAC2GUSBRAB9AKDM4E | |
| SCHEMBL22360387 | 0.87 | ALDH1A1 (0.40) | HDAC1HDAC2RAB9AALDH1A1SMN1; SMN2 | |
| SCHEMBL22360423 | 0.86 | HDAC1 (0.40) | HDAC1HDAC2KDM4EALDH1A1MAPT | |
| SCHEMBL22360426 | 0.85 | KDM4E (0.45) | HDAC1HDAC2RAB9AKDM4EALDH1A1 | |
| SCHEMBL22360422 | 0.84 | ALDH1A1 (0.41) | HDAC1HDAC2RAB9ANPSR1ALDH1A1 | |
| SCHEMBL22360425 | 0.81 | MAPT (0.44) | GUSBKDM4EALDH1A1LMNAMAPT | |
| SCHEMBL22360427 | 0.80 | PTGS1 (0.30) | — | |
| SCHEMBL22360383 | 0.79 | CTSS (0.32) | LMNA | |
| SCHEMBL22360428 | 0.78 | ALDH1A1 (0.45) | RAB9AKDM4ENPSR1ALDH1A1LMNA | |
| SCHEMBL22360430 | 0.76 | NPC1 (0.39) | NPSR1ALDH1A1MAPTMEN1KMT2A |
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 |