Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | GRM6 | O15303 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20045665 | 0.77 | CYP3A4 (0.39) | ESR1KCNH2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL30961659 | 0.77 | CYP3A4 (0.39) | ESR1KCNH2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL28317708 | 0.72 | ESR1 (0.34) | ESR1KCNH2ALDH1A1CYP3A4TSHR | |
| SCHEMBL6677666 | 0.70 | ESR1 (0.42) | ESR1KCNH2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5929895 | 0.69 | ESR1 (0.40) | ESR1KCNH2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL6681404 | 0.69 | ESR1 (0.41) | ESR1KCNH2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL16113033 | 0.68 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL1068685 | 0.67 | ESR1 (0.42) | ESR1KCNH2ALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL29223984 | 0.67 | GRM6 (0.38) | ALDH1A1HSD17B10TSHRGRM6 | |
| SCHEMBL30864316 | 0.67 | GRM6 (0.38) | ALDH1A1HSD17B10TSHRGRM6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3643703-A1 | EP300/CREBBP INHIBITOR | Daiichi Sankyo Co., Ltd. (JP) | 2020-04-29 | — | — | EP | disclosed |