Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | TDO2 | P48775 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 4/20 | 0.34 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL9540307 | 0.86 | FBP1 (0.47) | IDO1TDO2ALDH1A1TSHRMAPT | |
| SCHEMBL9539528 | 0.83 | ALDH1A1 (0.48) | ALDH1A1TSHRKIF11FBP1NPC1 | |
| SCHEMBL9538889 | 0.73 | NPBWR1 (0.40) | ALDH1A1TSHRMAPTKDM4EKIF11 | |
| SCHEMBL1132385 | 0.73 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPTFBP1MEN1 | |
| SCHEMBL3593834 | 0.71 | HSP90AA1 (0.49) | ALDH1A1P2RX1MAPTTACR1NPC1 | |
| SCHEMBL9538666 | 0.71 | NPBWR1 (0.39) | ALDH1A1TSHRMAPTKIF11MEN1 | |
| Fluoride SCHEMBL27260416 | 0.71 | ALDH1A1 (0.38) | ALDH1A1TSHRMAPTFBP1MEN1 | |
| SCHEMBL5249757 | 0.70 | CES2 (0.44) | IDO1TDO2ALDH1A1TSHRMAPT | |
| SCHEMBL7616716 | 0.69 | P2RX1 (0.46) | ALDH1A1TSHRP2RX1KIF11TACR1 | |
| SCHEMBL9541494 | 0.68 | NFE2L2 (0.52) | ALDH1A1TSHRMAPTFBP1MEN1 |
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 |