Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.32 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.32 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | EGFR | P00533 | 2/20 | 0.31 |
| ▸ | BTK | Q06187 | 1/20 | 0.31 |
| ▸ | CSF1R | P07333 | 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 | |
|---|---|---|---|---|
| SCHEMBL17407689 | 0.85 | ALDH1A1 (0.39) | ALDH1A1HDAC2TDP1EGFR | |
| SCHEMBL8026801 | 0.80 | KIF11 (0.44) | KIF11GRIN1GRIN2BHSD17B1HSD17B2 | |
| SCHEMBL15834804 | 0.78 | ALDH1A1 (0.44) | KIF11ALDH1A1ESR1ESR2HDAC2 | |
| SCHEMBL29064768 | 0.78 | KIF11 (0.43) | KIF11ALDH1A1HSD17B1HSD17B2EGFR | |
| SCHEMBL2851608 | 0.75 | ALDH1A1 (0.41) | ALDH1A1ESR1HDAC2GABRA1GABRB2 | |
| SCHEMBL12647719 | 0.74 | KIF11 (0.47) | KIF11ESR1ESR2GRIN1GRIN2B | |
| SCHEMBL13906337 | 0.74 | KIF11 (0.51) | KIF11 | |
| SCHEMBL13614493 | 0.73 | ALDH1A1 (0.42) | KIF11ALDH1A1ESR1ESR2HDAC2 | |
| SCHEMBL2293149 | 0.72 | RAB9A (0.46) | ESR2HDAC2 | |
| SCHEMBL20967239 | 0.72 | TSHR (0.43) | ALDH1A1ESR1HDAC2PTGS2 |
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-2116522-A1 | PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CF<SB>2</SB>O BONDING GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY | Chisso Corporation (JP) | 2009-11-11 | — | — | EP | disclosed |