Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 1/20 | 0.34 |
| ▸ | GABRD | O14764 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.34 |
| ▸ | GABRE | P78334 | 1/20 | 0.34 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.34 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.34 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.34 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8042857 | 0.93 | SPHK1 (0.31) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8041062 | 0.91 | ESR2 (0.33) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8039243 | 0.90 | GABRP (0.33) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8040901 | 0.89 | GABRP (0.40) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8039296 | 0.89 | FFAR1 (0.33) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8039877 | 0.87 | ESR2 (0.33) | CYP2C9ESR2ESR1CYP3A4EGLN1 | |
| SCHEMBL8041025 | 0.85 | FFAR1 (0.36) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8046785 | 0.83 | SPHK1 (0.30) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL8029172 | 0.82 | SPHK1 (0.34) | — | |
| SCHEMBL8029167 | 0.81 | SPHK1 (0.40) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0727473-B1 | Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element | CHISSO CORP (JP) | 2000-01-12 | — | — | EP | disclosed |
| US-5833879-A | LOW TEMPERATURE MISCIBILITY AND COMPATIBILITY WITH OTHER LIQUID CRYSTAL COMPOUNDS; DISPLAYS CONTAINING MIXTURES OF AT LEAST TWO COMPOUNDS, PHYSICAL PROPERTIES | CHISSO CORPORATION (JP) | 1998-11-10 | — | — | US | disclosed |
| EP-0727473-A2 | Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element | Chisso Corporation (JP) | 1996-08-21 | — | — | EP | disclosed |