Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.36 |
| ▸ | CHRNA10 | Q9GZZ6 | 2/20 | 0.36 |
| ▸ | CHRNA9 | Q9UGM1 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RARA | P10276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 1/20 | 0.34 |
| ▸ | RARG | P13631 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 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 | |
|---|---|---|---|---|
| SCHEMBL8029405 | 0.94 | CYP2A6 (0.48) | CYP2A6CYP1A1CYP1A2CYP1B1ACACB | |
| SCHEMBL9333082 | 0.86 | CYP1A1 (0.57) | CYP2A6CYP1A1CYP1A2CYP1B1ACACB | |
| SCHEMBL8042641 | 0.86 | TSHR (0.42) | CYP1A1CYP1A2CYP1B1ACACBTSHR | |
| SCHEMBL8039885 | 0.85 | FFAR1 (0.45) | CYP1A1CYP1A2CYP1B1ACACBKCNH2 | |
| SCHEMBL8029347 | 0.84 | CYP2A6 (0.40) | CYP2A6CYP1A1CYP1A2CYP1B1ACACB | |
| SCHEMBL8041309 | 0.82 | CYP2A6 (0.41) | CYP2A6CYP1A1CYP1A2CYP1B1ACACB | |
| SCHEMBL8041050 | 0.82 | HSD17B10 (0.58) | EGFRTSHRHSD17B10RARARARB | |
| SCHEMBL9332890 | 0.81 | CYP2A6 (0.47) | CYP2A6CYP1A1CYP1A2CYP1B1ACACB | |
| SCHEMBL8029216 | 0.81 | APP (0.53) | ACACBKCNH2MCHR1FFAR1 | |
| SCHEMBL8029625 | 0.80 | ACACB (0.50) | ACACBMCHR1 |
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 |