Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
| ▸ | TOP1 | P11387 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9735498 | 0.77 | TOP1 (0.35) | ESR1ADORA2AADORA1TOP1ABCG2 | |
| SCHEMBL9541219 | 0.71 | ESR1 (0.41) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL7221654 | 0.68 | ESR1 (0.41) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL2790280 | 0.68 | ALDH1A1 (0.48) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL1258312 | 0.68 | KCNH2 (0.47) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL7225116 | 0.68 | KDM4E (0.45) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL7221651 | 0.68 | PDE4D (0.46) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL27531141 | 0.67 | ADORA2A (0.41) | CYP2D6KCNH2ADORA2AADORA1CYP3A4 | |
| SCHEMBL2790491 | 0.67 | KCNH2 (0.46) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL2608426 | 0.67 | CYP2D6 (0.46) | ESR1CYP2D6KCNH2ADORA2AADORA1 |
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 |