Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | ESRRG | P62508 | 10/20 | 0.52 |
| ▸ | ESR1 | P03372 | 4/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.52 |
| ▸ | ESRRB | O95718 | 6/20 | 0.47 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.44 |
| ▸ | HTR3B | O95264 | 2/20 | 0.44 |
| ▸ | HTR3A | P46098 | 2/20 | 0.44 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.44 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.44 |
| ▸ | ESRRA | P11474 | 3/20 | 0.42 |
| ▸ | HTR5A | P47898 | 2/20 | 0.42 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL24688546 | 0.87 | ESRRG (0.67) | ALDH1A1ESRRGESR1KCNH2ESRRB | |
| SCHEMBL29968553 | 0.83 | ESRRG (0.48) | ALDH1A1USP2TSHRHSD17B10ESRRG | |
| SCHEMBL24688554 | 0.82 | ESRRG (0.61) | ALDH1A1ESRRGESR1KCNH2ESRRB | |
| SCHEMBL24688559 | 0.82 | ESRRG (0.64) | ALDH1A1ESRRGESR1KCNH2ESRRB | |
| SCHEMBL24688913 | 0.79 | ESRRG (0.57) | ALDH1A1ESRRGESR1KCNH2ESRRB | |
| SCHEMBL24688923 | 0.77 | ESRRG (0.65) | ALDH1A1ESRRGESR1KCNH2ESRRB | |
| SCHEMBL29968359 | 0.76 | ESRRG (0.57) | ALDH1A1ESRRGESR1KCNH2ESRRB | |
| SCHEMBL25803137 | 0.74 | ALDH1A1 (0.70) | ALDH1A1USP2TSHRHSD17B10ESRRG | |
| SCHEMBL24688550 | 0.74 | ESRRG (0.52) | ALDH1A1ESRRGESR1KCNH2ESRRB | |
| SCHEMBL24688801 | 0.74 | ESRRG (0.68) | ESRRGESR1KCNH2ESRRB |
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 |