Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 2/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.35 |
| ▸ | CBFB | Q13951 | 1/20 | 0.34 |
| ▸ | CCNC | P24863 | 1/20 | 0.34 |
| ▸ | CDK8 | P49336 | 1/20 | 0.34 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.34 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538666 | 0.83 | NPBWR1 (0.39) | NPBWR1DGAT1KCNH2ALDH1A1TSHR | |
| SCHEMBL9538969 | 0.75 | NPBWR1 (0.39) | NPBWR1DGAT1KCNH2BACE1CBFB | |
| SCHEMBL5255552 | 0.75 | CES2 (0.41) | NPBWR1DGAT1KCNH2CES2ALDH1A1 | |
| SCHEMBL9539528 | 0.74 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11BACE1TRPV6 | |
| SCHEMBL9540307 | 0.73 | FBP1 (0.47) | ALDH1A1TSHRMEN1MAPTKMT2A | |
| SCHEMBL9541838 | 0.73 | IDO1 (0.44) | ALDH1A1TSHRKIF11KDM4EMEN1 | |
| SCHEMBL4416163 | 0.71 | CES2 (0.47) | NPBWR1CES2KIF11BACE1POLQ | |
| SCHEMBL9996772 | 0.70 | CES2 (0.46) | NPBWR1CES2TSHRBACE1KDM4E | |
| SCHEMBL4076004 | 0.70 | CES2 (0.46) | NPBWR1CES2TSHRBACE1KDM4E | |
| SCHEMBL472401 | 0.70 | CES2 (0.50) | CES2KIF11BACE1KDM4EMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0311955-B1 | BICYCLIC PEROXIDE | F. HOFFMANN-LA ROCHE AG (CH) | 1993-04-21 | — | — | EP | disclosed |
| US-5134240-A | Malaria therapy | HOFFMANN-LAROCHE, INC. (US) | 1992-07-28 | — | — | US | disclosed |
| US-4977184-A | Bicyclic peroxides compositions for and treatment of malaria therewith | HOFFMANN-LA ROCHE INC. (US) | 1990-12-11 | — | — | US | disclosed |
| EP-0311955-A2 | Bicyclic peroxide | F. HOFFMANN-LA ROCHE AG (CH) | 1989-04-19 | — | — | EP | disclosed |