Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACACB | O00763 | 11/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8029212 | 0.91 | ACACB (0.42) | ACACBRAB9AMAOAMAOBALDH1A1 | |
| SCHEMBL8042740 | 0.89 | DRD2 (0.48) | DRD2 | |
| SCHEMBL8039253 | 0.89 | ACACB (0.45) | ACACBRAB9AMAOAMAOBALDH1A1 | |
| SCHEMBL9512374 | 0.84 | ACACB (0.46) | ACACBRAB9AMAOAMAOBALDH1A1 | |
| SCHEMBL5352047 | 0.83 | ACACB (0.48) | ACACBRAB9AMAOAMAOBALDH1A1 | |
| SCHEMBL8029167 | 0.82 | SPHK1 (0.40) | ACACB | |
| SCHEMBL9511281 | 0.81 | ACACB (0.46) | ACACBRAB9AMAOAMAOBALDH1A1 | |
| SCHEMBL9510031 | 0.81 | ACACB (0.44) | ACACBRAB9AMAOAMAOBALDH1A1 | |
| SCHEMBL13433646 | 0.80 | RAB9A (0.47) | ACACBRAB9AMAOAMAOBALDH1A1 | |
| SCHEMBL9511375 | 0.80 | RAB9A (0.47) | ACACBRAB9AMAOAMAOBALDH1A1 |
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 |