Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1132385 | 0.84 | ALDH1A1 (0.39) | TSHRCYP1A2MAPTMAOBNFE2L2 | |
| SCHEMBL9539397 | 0.80 | ALDH1A1 (0.41) | CYP1A2MAPTHSD17B10SIRT1LMNA | |
| SCHEMBL14269409 | 0.78 | ALDH1A1 (0.42) | MAPTMAOBG6PDCYP1B1LMNA | |
| SCHEMBL9538596 | 0.78 | LMNA (0.42) | TSHRMAPTNFE2L2EGFRMMP1 | |
| SCHEMBL9541494 | 0.78 | NFE2L2 (0.52) | TSHRMAPTNFE2L2EGFRMMP1 | |
| SCHEMBL24193844 | 0.78 | ESR1 (0.50) | G6PC1MAPTNFE2L2MMP1MMP2 | |
| SCHEMBL9538195 | 0.78 | ALDH1A1 (0.45) | TSHRG6PC1MAPTAHRIDO1 | |
| SCHEMBL14423637 | 0.75 | LTA4H (0.48) | TSHRMMP2LMNA | |
| Benzaldehyde SCHEMBL6051056 | 0.74 | ALDH1A1 (0.61) | TSHRHSD17B10MAOBFBP1LMNA | |
| SCHEMBL9538770 | 0.74 | TRPV1 (0.41) | TSHRCYP1A2MAPTLMNA |
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 5 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 |
| US-4065620-A | ANTIBIOTICS | ELI LILLY AND COMPANY (US) | 1977-12-27 | — | — | US | disclosed |