Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 17/20 | 0.66 |
| ▸ | ESRRB | O95718 | 13/20 | 0.66 |
| ▸ | ESR1 | P03372 | 10/20 | 0.66 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.65 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | ESRRA | P11474 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL24688801 | 0.91 | ESRRG (0.68) | ESRRGESRRBESR1KCNH2HRH3 | |
| SCHEMBL23921833 | 0.81 | ESRRG (0.57) | ESRRGESRRBESR1KCNH2HRH3 | |
| SCHEMBL24688923 | 0.80 | ESRRG (0.65) | ESRRGESRRBESR1KCNH2CYP19A1 | |
| SCHEMBL20842022 | 0.80 | ESRRG (1.00) | ESRRGESRRBESR1KCNH2ESRRA | |
| SCHEMBL10016271 | 0.78 | CYP19A1 (0.66) | ESRRBESR1CYP19A1 | |
| SCHEMBL2603282 | 0.75 | HRH3 (0.69) | ESRRGESRRBESR1KCNH2HRH3 | |
| SCHEMBL24688915 | 0.74 | ESRRB (0.47) | ESRRGESRRBESR1KCNH2HRH3 | |
| SCHEMBL29968359 | 0.74 | ESRRG (0.57) | ESRRGESRRBESR1KCNH2ESRRA | |
| SCHEMBL20842043 | 0.74 | ESRRG (0.98) | ESRRGESRRBESR1KCNH2ESRRA | |
| SCHEMBL1306328 | 0.73 | KCNH2 (0.58) | ESRRGESRRBESR1KCNH2HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022245124-A1 | NOVEL ETHENE COMPOUND AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER | 재단법인 대구경북첨단의료산업진흥재단 | 2022-11-24 | — | — | WO | disclosed |
| WO-2022245124-A1 | NOVEL ETHENE COMPOUND AND PHARMACEUTICAL COMPOSITION INCLUDING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER | 재단법인 대구경북첨단의료산업진흥재단 | 2022-11-24 | — | — | WO | disclosed |