Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.32 |
| ▸ | PPARA | Q07869 | 2/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.32 |
| ▸ | THRA | P10827 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.30 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL27739946 | 0.87 | ESR2 (0.37) | PPARGPPARAMCL1THRATHRB | |
| SCHEMBL27760470 | 0.83 | GAA (0.40) | MAPTKDM4EALDH1A1GAARAB9A | |
| SCHEMBL27760473 | 0.80 | ESR2 (0.36) | PPARGPPARAMAPTKDM4EALDH1A1 | |
| SCHEMBL8970782 | 0.77 | MEN1 (0.38) | CYP1A2CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL3623072 | 0.76 | OPRM1 (0.40) | CYP1A2CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL27739948 | 0.73 | HPGD (0.33) | KMT2A | |
| SCHEMBL10442548 | 0.72 | TSHR (0.35) | CYP1A2CYP2C9CYP2C19MAPTKDM4E | |
| SCHEMBL1119645 | 0.72 | THRB (0.35) | THRBTDP1 | |
| SCHEMBL9487768 | 0.70 | MAPT (0.39) | MAPTKDM4EALDH1A1KMT2A | |
| SCHEMBL10589794 | 0.70 | MAPT (0.39) | MAPTKDM4EALDH1A1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101415797-A | Liquid crystal compositions, polymer networks derived therefrom and process for making the same | DU PONT (US) | 2009-04-22 | — | — | CN | disclosed |