Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | ACACB | O00763 | 2/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.34 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.34 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 1/20 | 0.33 |
| ▸ | RARB | P10826 | 1/20 | 0.33 |
| ▸ | RARG | P13631 | 1/20 | 0.33 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8040903 | 0.95 | CYP2A6 (0.45) | CYP2A6ACACBHRH3KCNH2FFAR1 | |
| SCHEMBL8040007 | 0.90 | TSHR (0.41) | CYP2A6ACACBCYP1A1CYP1A2CYP1B1 | |
| SCHEMBL9335303 | 0.89 | CYP2A6 (0.44) | CYP2A6ACACBTSHRHSD17B10HRH3 | |
| SCHEMBL8042893 | 0.89 | FFAR1 (0.46) | CYP2A6ACACBTSHRHSD17B10HRH3 | |
| SCHEMBL8029369 | 0.88 | TSHR (0.41) | ACACBCYP1A1CYP1A2CYP1B1TSHR | |
| SCHEMBL8041073 | 0.88 | KCNH2 (0.44) | ACACBCYP1A1CYP1A2CYP1B1TSHR | |
| SCHEMBL8039976 | 0.84 | FFAR1 (0.43) | CYP2A6ACACBTSHRHSD17B10HRH3 | |
| SCHEMBL8046362 | 0.84 | MCHR1 (0.50) | ACACBKCNH2 | |
| SCHEMBL9335892 | 0.83 | CYP2A6 (0.48) | CYP2A6ACACBHRH3KCNH2FFAR1 | |
| SCHEMBL8041089 | 0.83 | ACACB (0.48) | ACACB |
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 |