Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | CCR6 | P51684 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | TPX2 | Q9ULW0 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | IGF2BP2 | Q9Y6M1 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GALR1 | P47211 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL306823 | 0.84 | KIF11 (0.50) | NISCHGRIN2BACP1SERPINE1KIF11 | |
| SCHEMBL18293362 | 0.84 | KIF11 (0.50) | NISCHGRIN2BACP1SERPINE1KIF11 | |
| SCHEMBL28910204 | 0.82 | SERPINE1 (0.49) | NISCHGRIN2BACP1SERPINE1KIF11 | |
| SCHEMBL9602945 | 0.78 | SERPINE1 (0.47) | NISCHGRIN2BACP1SERPINE1KIF11 | |
| SCHEMBL26803468 | 0.76 | ACP1 (0.48) | NISCHGRIN2BACP1SERPINE1KIF11 | |
| SCHEMBL28046190 | 0.75 | NISCH (0.41) | NISCHNPY5RKCNH2L3MBTL1KIF11 | |
| SCHEMBL168125 | 0.75 | KIF11 (0.47) | GRIN2BCCR6KCNH2KIF11KDM1A | |
| SCHEMBL27862141 | 0.75 | KIF11 (0.47) | GRIN2BCCR6KCNH2KIF11KDM1A | |
| SCHEMBL28334199 | 0.74 | SERPINE1 (0.47) | ACP1SERPINE1KIF11AURKATPX2 | |
| SCHEMBL16878883 | 0.74 | NISCH (0.49) | NISCHL3MBTL1KIF11AURKATPX2 |
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-2010047260-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2010-04-29 | — | — | WO | disclosed |