Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.37 |
| ▸ | FASN | P49327 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX5AP | P20292 | 3/20 | 0.33 |
| ▸ | FEN1 | P39748 | 3/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 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 | |
|---|---|---|---|---|
| SCHEMBL13128386 | 0.97 | CYP2C9 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL17070291 | 0.94 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL19844727 | 0.90 | CYP2C9 (0.36) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL14526018 | 0.90 | CYP2C9 (0.43) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL13615208 | 0.90 | ALOX5AP (0.38) | CYP2C9ALDH1A1CYP3A4FASNAPP | |
| SCHEMBL19844718 | 0.89 | MAPT (0.36) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2885414 | 0.88 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL2885418 | 0.88 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL19789502 | 0.88 | CYP2C9 (0.49) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL165846 | 0.88 | CYP2C9 (0.49) | 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 |
|---|---|---|---|---|---|---|---|
| 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 |