Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8449768 | 1.00 | GRIA1 (0.34) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8449774 | 1.00 | GRIA1 (0.34) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8454932 | 0.96 | ESR2 (0.36) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8454936 | 0.96 | ESR2 (0.36) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8454938 | 0.96 | ESR2 (0.36) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8453649 | 0.95 | GRIA1 (0.36) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8453643 | 0.95 | GRIA1 (0.36) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8453654 | 0.95 | GRIA1 (0.36) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8457236 | 0.93 | GRIA1 (0.34) | GRIA1GRIA2GRIA3ESR2MAOA | |
| SCHEMBL8457240 | 0.93 | GRIA1 (0.34) | GRIA1GRIA2GRIA3ESR2MAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5976408-A | Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device | CHISSO CORPORATION (JP) | 1999-11-02 | — | — | US | disclosed |
| EP-0820983-A1 | ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE | CHISSO CORPORATION (JP) | 1998-01-28 | — | — | EP | disclosed |