Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 2/20 | 0.52 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.50 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.49 |
| ▸ | SLC10A2 | Q12908 | 1/20 | 0.49 |
| ▸ | SLC10A1 | Q14973 | 1/20 | 0.49 |
| ▸ | SLC10A6 | Q3KNW5 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.48 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.48 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.48 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.48 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.48 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.48 |
| ▸ | CCR2 | P41597 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | THRB | P10828 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29561772 | 0.87 | MAPT (0.56) | PGRSLC10A2SLC10A1SLC10A6CES1 | |
| SCHEMBL29561437 | 0.85 | PGR (0.69) | PGRCES1CYP3A4CYP2D6PSEN1 | |
| SCHEMBL29561662 | 0.83 | PKM (0.53) | PGRGPR27SIRT6CES1CYP3A4 | |
| SCHEMBL29561400 | 0.83 | ALDH1A1 (0.71) | PGRGPR27CES1CYP3A4CYP2D6 | |
| SCHEMBL29562488 | 0.81 | SIRT6 (0.71) | PGRGPR27SIRT6CES1CYP3A4 | |
| SCHEMBL29561111 | 0.81 | CES1 (0.50) | PGRGPR27SIRT6CES1CYP3A4 | |
| SCHEMBL29561456 | 0.79 | CES1 (0.59) | PGRCES1CYP3A4CYP2D6PSEN1 | |
| SCHEMBL29561511 | 0.79 | PGR (0.61) | PGRGPR27CES1CYP3A4CYP2D6 | |
| SCHEMBL29561634 | 0.78 | CES1 (0.57) | PGRCES1CYP3A4CYP2D6PSEN1 | |
| SCHEMBL29561444 | 0.77 | CES1 (0.81) | PGRCES1CYP3A4CYP2D6PSEN1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109384694-B | SIRT6 small-molecule agonist and application thereof | 上海爱乐维生物科技有限公司 | 2022-04-05 | — | — | CN | claimed |
| CN-109384694-B | SIRT6 small-molecule agonist and application thereof | 上海爱乐维生物科技有限公司 | 2022-04-05 | — | — | CN | disclosed |