Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.71 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | PGR | P06401 | 2/20 | 0.57 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.51 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.51 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.51 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.51 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.51 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL29561469 | 0.86 | PKM (0.64) | ALDH1A1GPR27TSHRPGRMEN1 | |
| SCHEMBL29562114 | 0.84 | MAPT (0.66) | ALDH1A1PGRCES1CYP3A4CYP2D6 | |
| SCHEMBL7562043 | 0.84 | ALDH1A1 (1.00) | ALDH1A1GPR27TSHRKEAP1MEN1 | |
| SCHEMBL29562342 | 0.84 | PGR (0.72) | ALDH1A1GPR27PGRKEAP1MEN1 | |
| SCHEMBL29561494 | 0.83 | ACLY (0.60) | PGRMEN1MAPK1KMT2ACES1 | |
| SCHEMBL29561466 | 0.83 | PGR (0.57) | ALDH1A1GPR27PGRMEN1KMT2A | |
| SCHEMBL29561505 | 0.83 | PGR (0.57) | GPR27TSHRPGRMEN1KMT2A | |
| SCHEMBL29561264 | 0.83 | ACLY (0.62) | ALDH1A1TSHRPGRMEN1MAPK1 | |
| SCHEMBL29561664 | 0.83 | PGR (0.52) | ALDH1A1GPR27PGRCES1CYP3A4 | |
| SCHEMBL29561493 | 0.83 | MAPT (0.50) | ALDH1A1MEN1KMT2ACES1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |