Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL14274416 | 0.89 | CYP1A2 (0.32) | PKMCYP1A2 | |
| SCHEMBL20173254 | 0.88 | CYP1A2 (0.31) | CYP1A2 | |
| SCHEMBL13614597 | 0.87 | ALDH1A1 (0.34) | CYP1A2 | |
| SCHEMBL20174023 | 0.85 | CYP1A2 (0.33) | HTTCYP1A2 | |
| SCHEMBL9556519 | 0.84 | GAA (0.32) | CYP1A2 | |
| SCHEMBL9556518 | 0.84 | GAA (0.32) | CYP1A2 | |
| SCHEMBL20173256 | 0.84 | CYP1A2 (0.33) | CYP1A2 | |
| SCHEMBL9407077 | 0.84 | — | — | |
| SCHEMBL9407075 | 0.84 | — | — | |
| SCHEMBL10073103 | 0.83 | — | — |
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 |