Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 1/20 | 0.49 |
| ▸ | PPARA | Q07869 | 1/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 6/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 6/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.45 |
| ▸ | CNR2 | P34972 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6244440 | 0.81 | ALDH1A1 (0.41) | ALDH1A1PPARGPPARDPPARAMAPT | |
| SCHEMBL29096048 | 0.76 | PTGDR (0.59) | ALDH1A1PPARGPPARDPPARAGABRA1 | |
| SCHEMBL18716699 | 0.76 | POLB (0.47) | ALDH1A1MAPTL3MBTL1POLBCYP3A4 | |
| SCHEMBL7623371 | 0.75 | ALDH1A1 (0.41) | ALDH1A1MAPTPOLBCYP3A4CYP1A2 | |
| SCHEMBL14339474 | 0.74 | KDM4E (0.50) | ALDH1A1MAPTL3MBTL1POLBCYP3A4 | |
| SCHEMBL13064596 | 0.73 | POLB (0.45) | ALDH1A1GABRA1GABRB2ALOX5MAPT | |
| SCHEMBL251558 | 0.72 | GABRA1 (0.71) | ALDH1A1PPARGPPARDPPARAGABRA1 | |
| SCHEMBL13020800 | 0.72 | POLB (0.41) | ALDH1A1MAPTL3MBTL1POLBCYP3A4 | |
| SCHEMBL25308888 | 0.71 | CYP3A4 (0.46) | ALDH1A1PPARGPPARDPPARAGABRA1 | |
| SCHEMBL16166539 | 0.71 | ELANE (0.47) | ALDH1A1PPARGPPARDPPARAGABRA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4400061-A | Liquid crystal ester compounds exhibiting a low or negative dielectric anisotropy and liquid crystal materials and devices incorporating such compounds | Her Majesty's Government of the UK. (GB) | 1983-08-23 | — | — | US | disclosed |