Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.56 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.56 |
| ▸ | ABHD6 | Q9BV23 | 5/20 | 0.50 |
| ▸ | DRD1 | P21728 | 2/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD5 | P21918 | 1/20 | 0.43 |
| ▸ | EP300 | Q09472 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.41 |
| ▸ | BAD | Q92934 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | HTR5A | P47898 | 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 | |
|---|---|---|---|---|
| SCHEMBL506963 | 0.90 | ESR1 (0.50) | ESR1ESR2ABHD6DRD1DRD3 | |
| SCHEMBL8177222 | 0.88 | ESR1 (0.56) | ESR1ESR2ABHD6BCL2L1BAD | |
| SCHEMBL25825897 | 0.86 | ABHD6 (0.47) | ESR1ESR2ABHD6BCL2L1BAD | |
| SCHEMBL587897 | 0.84 | ABHD6 (0.69) | ESR1ESR2ABHD6DRD2EP300 | |
| SCHEMBL17130540 | 0.84 | ESR1 (0.55) | ESR1ESR2ABHD6DRD2EP300 | |
| SCHEMBL3885156 | 0.84 | ESR1 (0.51) | ESR1ESR2ABHD6DRD2EP300 | |
| SCHEMBL19582436 | 0.83 | ESR1 (0.50) | ESR1ESR2ABHD6DRD1DRD2 | |
| SCHEMBL9913538 | 0.82 | ESR1 (0.49) | ESR1ESR2ABHD6EP300CREBBP | |
| SCHEMBL16269409 | 0.81 | DRD1 (0.47) | ABHD6DRD1DRD3DRD2DRD5 | |
| SCHEMBL9913535 | 0.81 | ABHD6 (0.49) | ESR1ESR2ABHD6EP300CREBBP |
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 |