Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPBWR1 | P48145 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | NT5E | P21589 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.35 |
| ▸ | CDK2 | P24941 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
| ▸ | F3 | P13726 | 1/20 | 0.35 |
| ▸ | C1R | P00736 | 1/20 | 0.34 |
| ▸ | CTSD | P07339 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9538889 | 0.75 | NPBWR1 (0.40) | NPBWR1ESR1DGAT1KCNH2DHODH | |
| SCHEMBL9541219 | 0.74 | ESR1 (0.41) | ESR1KCNH2ADORA2AADORA1BACE1 | |
| SCHEMBL9538666 | 0.74 | NPBWR1 (0.39) | NPBWR1DGAT1KCNH2BACE1 | |
| SCHEMBL9735498 | 0.71 | TOP1 (0.35) | ESR1NT5EADORA2AADORA1KDM4E | |
| SCHEMBL19209593 | 0.70 | GAA (0.52) | KDM4EC1RABCG2TLR7 | |
| SCHEMBL31327779 | 0.70 | NT5E (0.68) | NPBWR1DGAT1KCNH2NT5EADORA2A | |
| SCHEMBL2709353 | 0.70 | NT5E (0.68) | NPBWR1DGAT1KCNH2NT5EADORA2A | |
| SCHEMBL3826784 | 0.70 | NT5E (0.54) | NT5EBACE1KDM4EF7F3 | |
| SCHEMBL3828474 | 0.68 | BACE1 (0.45) | NT5EBACE1KDM4EF7F3 | |
| SCHEMBL11133397 | 0.68 | KDM4E (0.49) | DGAT1KCNH2NT5EADORA2AADORA1 |
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 |