Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 7/20 | 0.54 |
| ▸ | ESR1 | P03372 | 6/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EP300 | Q09472 | 1/20 | 0.35 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL506174 | 0.91 | ESR1 (0.49) | ESR2ESR1PKMABHD6HDAC6 | |
| SCHEMBL25604195 | 0.90 | ESR2 (0.54) | ESR2ESR1PKMABHD6HDAC8 | |
| SCHEMBL25825898 | 0.88 | ESR1 (0.45) | ESR2ESR1PKMABHD6HDAC8 | |
| SCHEMBL25604259 | 0.80 | ESR2 (0.58) | ESR2MAPTMAPK1 | |
| SCHEMBL25825836 | 0.75 | ESR1 (0.36) | ESR2ESR1ALDH1A1GAAMAPT | |
| SCHEMBL8177222 | 0.75 | ESR1 (0.56) | ESR2ESR1PKMABHD6RIPK1 | |
| SCHEMBL7637893 | 0.75 | ESR1 (0.56) | ESR2ESR1PKMABHD6HDAC8 | |
| SCHEMBL25404622 | 0.75 | ESR1 (0.52) | ESR2ESR1PKMABHD6HDAC8 | |
| SCHEMBL7402991 | 0.74 | ESR1 (0.51) | ESR2ESR1ABHD6NOTUMALDH1A1 | |
| SCHEMBL507017 | 0.74 | ESR2 (0.51) | ESR2ESR1PKMABHD6HDAC6 |
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-2023125944-A1 | COMPOUND CONTAINING HETEROCYCLIC RING | 正大天晴药业集团股份有限公司 | 2023-07-06 | — | — | WO | disclosed |
| WO-2023088406-A1 | FUSED IMIDE DERIVATIVE | 正大天晴药业集团股份有限公司 | 2023-05-25 | — | — | WO | disclosed |