Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 8/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | GLRA1 | P23415 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11904076 | 0.78 | KCNH2 (0.46) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL1147111 | 0.78 | KCNH2 (0.46) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL29463858 | 0.78 | KCNH2 (0.46) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL29441429 | 0.78 | KCNH2 (0.46) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL9538709 | 0.78 | NT5E (0.38) | CYP2D6CYP1A2KDM4ECYP2C9 | |
| SCHEMBL9538969 | 0.74 | NPBWR1 (0.39) | ESR1KCNH2ADORA2AADORA1ABCG2 | |
| SCHEMBL1258312 | 0.71 | KCNH2 (0.47) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL2790280 | 0.71 | ALDH1A1 (0.48) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL9735686 | 0.71 | ESR1 (0.38) | ESR1CYP2D6KCNH2ADORA2AADORA1 | |
| SCHEMBL2608426 | 0.70 | 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 3 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 |