Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRB | O95718 | 3/20 | 0.47 |
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESRRG | P62508 | 2/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 12/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL24688923 | 0.83 | ESRRG (0.65) | ESRRBESR1ESRRGKCNH2CYP19A1 | |
| SCHEMBL29968359 | 0.78 | ESRRG (0.57) | ESRRBESR1ESRRGKCNH2KDM4E | |
| SCHEMBL9363368 | 0.76 | KDM4E (0.57) | HRH3KDM4EALDH1A1MAPTPKM | |
| SCHEMBL24688913 | 0.76 | ESRRG (0.57) | ESRRBESR1ESRRGKCNH2KDM4E | |
| SCHEMBL24688554 | 0.75 | ESRRG (0.61) | ESRRBESR1ESRRGKCNH2KDM4E | |
| SCHEMBL24688546 | 0.75 | ESRRG (0.67) | ESRRBESR1ESRRGKCNH2KDM4E | |
| SCHEMBL10016271 | 0.74 | CYP19A1 (0.66) | ESRRBESR1CYP19A1MAPTRAB9A | |
| SCHEMBL24688914 | 0.74 | ESRRG (0.66) | ESRRBESR1ESRRGKCNH2HRH3 | |
| SCHEMBL30109094 | 0.74 | HRH3 (0.69) | HRH3NPC1RAB9AKMT2A | |
| SCHEMBL24688559 | 0.72 | ESRRG (0.64) | ESRRBESR1ESRRGKCNH2KDM4E |
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 1 patent. 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 |