Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | CTSL | P07711 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 2/20 | 0.33 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL20273239 | 0.93 | CYP2C9 (0.45) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22277493 | 0.93 | SPHK1 (0.34) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22277194 | 0.92 | CYP2C9 (0.44) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22277201 | 0.91 | CYP2C9 (0.32) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL17522430 | 0.90 | CYP2C9 (0.38) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22277616 | 0.89 | CYP2C9 (0.41) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22277199 | 0.88 | CYP2C9 (0.34) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL22277196 | 0.88 | CTSL (0.34) | CTSLCTSSCTSKFFAR4 | |
| SCHEMBL19224831 | 0.87 | CYP2C9 (0.40) | CYP2C9ALDH1A1LMNAMAPTMEN1 | |
| SCHEMBL8932816 | 0.85 | CYP2C9 (0.38) | 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-20200239775-A1 | TETRACYCLIC LIQUID CRYSTAL COMPOUND HAVING DIATOMIC BONDING GROUP AND 2,3-DIFLUOROPHENYLENE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE | JNC CORPORATION (JP) | 2020-07-30 | — | — | US | disclosed |