Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 5/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8040160 | 0.94 | CYP2A6 (0.44) | CYP2A6ACACBTP53TAAR1EGLN1 | |
| SCHEMBL9333011 | 0.85 | CYP2A6 (0.54) | CYP2A6ACACBTP53APPTAAR1 | |
| SCHEMBL5050178 | 0.84 | CYP2A6 (0.64) | CYP2A6ACACBTP53APPTAAR1 | |
| SCHEMBL8228398 | 0.84 | CYP2A6 (0.64) | CYP2A6ACACBTP53APPTAAR1 | |
| SCHEMBL8046400 | 0.84 | ACACB (0.45) | ACACBFFAR1FFAR4LPLLIPG | |
| SCHEMBL8046285 | 0.83 | FFAR1 (0.49) | CYP2A6ACACBFFAR1ALDH1A1CA2 | |
| SCHEMBL26026491 | 0.82 | CYP2A6 (0.56) | CYP2A6ACACBTP53APPTAAR1 | |
| SCHEMBL19896596 | 0.82 | PYCR1 (0.39) | FFAR1FFAR4ALDH1A1 | |
| SCHEMBL8040903 | 0.80 | CYP2A6 (0.45) | CYP2A6ACACBTP53TAAR1EGLN1 | |
| SCHEMBL8042641 | 0.80 | TSHR (0.42) | ACACBFFAR1FFAR4LPLLIPG |
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 |