Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | SCN4A | P35499 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | METAP2 | P50579 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | MPL | P40238 | 2/20 | 0.33 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9537460 | 0.86 | BACE1 (0.41) | KDM4EBACE1EPHX2SCN4AMETAP2 | |
| SCHEMBL856453 | 0.77 | TLR7 (0.41) | KDM4EBACE1PKMKMT2AMAPK1 | |
| SCHEMBL7164162 | 0.72 | BACE1 (0.39) | KDM4EBACE1EPHX2SCN4APKM | |
| SCHEMBL946296 | 0.70 | NOS3 (0.39) | KDM4EBACE1EPHX2SCN4APKM | |
| SCHEMBL10967442 | 0.67 | BACE1 (0.65) | KDM4EBACE1EPHX2SCN4APKM | |
| SCHEMBL30586443 | 0.67 | BACE1 (0.65) | KDM4EBACE1EPHX2SCN4APKM | |
| SCHEMBL3826784 | 0.67 | NT5E (0.54) | KDM4EBACE1EPHX2SCN4APKM | |
| SCHEMBL13641613 | 0.66 | KDM4E (0.63) | KDM4EBACE1EPHX2SCN4AMEN1 | |
| SCHEMBL3850835 | 0.66 | BACE1 (0.45) | KDM4EBACE1EPHX2SCN4APKM | |
| SCHEMBL3828474 | 0.66 | BACE1 (0.45) | KDM4EBACE1EPHX2SCN4APKM |
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-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 |