Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TOP1 | P11387 | 1/20 | 0.35 |
| ▸ | NT5E | P21589 | 2/20 | 0.34 |
| ▸ | C1R | P00736 | 2/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | F7 | P08709 | 1/20 | 0.33 |
| ▸ | F3 | P13726 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | TLR7 | Q9NYK1 | 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 | |
|---|---|---|---|---|
| SCHEMBL9735686 | 0.77 | ESR1 (0.38) | TOP1ABCG2ADORA2AADORA1ESR1 | |
| SCHEMBL19209591 | 0.76 | CTSD (0.41) | NT5EC1RGRM4ABCG2F7 | |
| SCHEMBL9538969 | 0.71 | NPBWR1 (0.39) | NT5EC1RABCG2ADORA2AADORA1 | |
| SCHEMBL19209593 | 0.70 | GAA (0.52) | C1RABCG2KDM4ETLR7 | |
| SCHEMBL3826784 | 0.66 | NT5E (0.54) | NT5EC1RF7F3KDM4E | |
| SCHEMBL3828474 | 0.65 | BACE1 (0.45) | NT5EF7F3KDM4ECTSD | |
| SCHEMBL3850835 | 0.65 | BACE1 (0.45) | NT5EF7F3KDM4ECTSD | |
| SCHEMBL11133397 | 0.65 | KDM4E (0.49) | NT5EC1RADORA2AADORA1F7 | |
| SCHEMBL11829749 | 0.65 | KDM4E (0.41) | NT5EC1RADORA2AADORA1ESR1 | |
| SCHEMBL11831263 | 0.65 | NT5E (0.45) | NT5EC1RADORA2AADORA1ESR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |