Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL10152260 | 0.97 | CYP2C9 (0.36) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL13263138 | 0.92 | GAA (0.33) | CYP2C9CYP3A4FASNMAPTAPP | |
| SCHEMBL10051627 | 0.90 | CYP2C9 (0.42) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL2606424 | 0.90 | CYP2C9 (0.42) | CYP2C9CYP3A4FASNALDH1A1LMNA | |
| SCHEMBL13000722 | 0.89 | GAA (0.35) | CYP2C9CYP3A4FASNMAPTAPP | |
| SCHEMBL9019410 | 0.88 | CYP2C9 (0.32) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL9019527 | 0.88 | CYP3A4 (0.31) | CYP2C9CYP3A4 | |
| SCHEMBL9018761 | 0.88 | CYP3A4 (0.32) | CYP2C9CYP3A4 | |
| SCHEMBL10165408 | 0.87 | OPRL1 (0.35) | — | |
| SCHEMBL9015837 | 0.85 | CYP2C9 (0.33) | CYP2C9ALDH1A1LMNAMAPTMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8187494-B2 | Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device | JNC CORPORATION (JP) | 2012-05-29 | — | — | US | disclosed |