Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.39 |
| ▸ | KMO | O15229 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | KCNQ3 | O43525 | 2/20 | 0.34 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.34 |
| ▸ | KCNE1 | P15382 | 2/20 | 0.34 |
| ▸ | KCNQ1 | P51787 | 2/20 | 0.34 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | KCNQ5 | Q9NR82 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.32 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.32 |
| ▸ | IDH1 | O75874 | 2/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12428723 | 0.81 | VRK1 (0.31) | GRIN2BHDAC1HDAC6 | |
| SCHEMBL13310760 | 0.81 | NISCH (0.44) | NISCHKMOKCNH2KCNQ3KCNQ2 | |
| SCHEMBL12428174 | 0.79 | HDAC1 (0.32) | HDAC1HDAC6 | |
| SCHEMBL23627689 | 0.79 | NISCH (0.40) | NISCHKMOKCNH2KCNQ3KCNQ2 | |
| SCHEMBL13614493 | 0.78 | ALDH1A1 (0.42) | NISCHKMOKCNH2ERN1HDAC1 | |
| SCHEMBL13310770 | 0.77 | NISCH (0.41) | NISCHKMOKCNH2KCNQ3KCNQ2 | |
| SCHEMBL12428720 | 0.75 | MEN1 (0.39) | — | |
| SCHEMBL2560523 | 0.75 | NISCH (0.49) | NISCHKMOHDAC1HDAC6AKR1C3 | |
| SCHEMBL12428877 | 0.75 | FEN1 (0.35) | ALOX5APFEN1 | |
| SCHEMBL12428785 | 0.74 | NPC1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2351741-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | Chisso Corporation (JP) | 2011-08-03 | — | — | EP | disclosed |