Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | MMP12 | P39900 | 1/20 | 0.39 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.39 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | PPARD | Q03181 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL9761656 | 0.96 | NPSR1 (0.48) | NPSR1CYP1A2CYP3A4THRATHRB | |
| SCHEMBL9761298 | 0.93 | NPSR1 (0.44) | NPSR1CYP1A2CYP3A4MMP12PDCD1 | |
| SCHEMBL9760315 | 0.91 | THRA (0.50) | NPSR1CYP1A2CYP3A4THRATHRB | |
| SCHEMBL9761542 | 0.91 | THRA (0.50) | NPSR1CYP1A2CYP3A4THRATHRB | |
| SCHEMBL9762382 | 0.91 | THRA (0.50) | NPSR1CYP1A2CYP3A4THRATHRB | |
| SCHEMBL9760952 | 0.91 | THRA (0.50) | NPSR1CYP1A2CYP3A4THRATHRB | |
| SCHEMBL9760482 | 0.89 | NPSR1 (0.45) | NPSR1CYP1A2CYP3A4PDCD1CD274 | |
| SCHEMBL9761024 | 0.89 | NPSR1 (0.46) | NPSR1THRATHRBSLC6A3PPARG | |
| SCHEMBL9760396 | 0.88 | NPSR1 (0.44) | NPSR1CYP1A2CYP3A4PDCD1CD274 | |
| SCHEMBL9760826 | 0.87 | NPSR1 (0.43) | NPSR1CYP1A2PDCD1CD274THRA |
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-0297745-B1 | OPTICALLY ACTIVE ETHER DERIVATIVES, PREPARATION PROCESSES THEREFOR, LIQUID CRYSTAL MATERIALS AND AN OPTICAL SWITCHING ELEMENT | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-09-18 | — | — | EP | disclosed |
| US-5013479-A | Aromatic ether esters containing two or three benzene rings | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1991-05-07 | — | — | US | disclosed |
| EP-0297745-A1 | Optically active ether derivatives, preparation processes therefor, liquid crystal materials and an optical switching element | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-01-04 | — | — | EP | disclosed |