Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 9/20 | 0.57 |
| ▸ | ESR1 | P03372 | 3/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL25604194 | 0.90 | ESR1 (0.51) | ABHD6ESR1ESR2TDP1L3MBTL1 | |
| SCHEMBL25604095 | 0.88 | ABHD6 (0.54) | ABHD6ESR1ESR2TDP1L3MBTL1 | |
| SCHEMBL17197353 | 0.85 | NOTUM (0.56) | ABHD6TDP1L3MBTL1NOTUMAKR1C3 | |
| SCHEMBL23553488 | 0.81 | ESR1 (0.52) | ABHD6ESR1ESR2NOTUM | |
| SCHEMBL30814383 | 0.81 | ESR1 (0.52) | ABHD6ESR1ESR2NOTUM | |
| SCHEMBL7402991 | 0.80 | ESR1 (0.51) | ABHD6ESR1ESR2NOTUMRIPK1 | |
| SCHEMBL20873627 | 0.80 | ABHD6 (0.63) | ABHD6ESR1ESR2NOTUMRIPK1 | |
| SCHEMBL8177222 | 0.79 | ESR1 (0.56) | ABHD6ESR1ESR2PKMRIPK1 | |
| SCHEMBL506664 | 0.78 | ABHD6 (0.63) | ABHD6ESR1ESR2NOTUMAKR1C3 | |
| SCHEMBL7641094 | 0.78 | ABHD6 (0.52) | ABHD6ESR1ESR2PKMNOTUM |
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 |