Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | CTSA | P10619 | 4/20 | 0.46 |
| ▸ | FNTA | P49354 | 2/20 | 0.46 |
| ▸ | FNTB | P49356 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29157158 | 1.00 | PGR (0.51) | PGRARTP53MAPTTHRB | |
| SCHEMBL29157145 | 0.84 | SMN1; SMN2 (0.52) | PGRARTP53MAPTMEN1 | |
| SCHEMBL30801465 | 0.83 | TP53 (0.52) | PGRARTP53MAPTMEN1 | |
| SCHEMBL29157113 | 0.83 | TP53 (0.52) | PGRARTP53MAPTMEN1 | |
| SCHEMBL29157125 | 0.81 | PGR (0.48) | PGRARMAPTMEN1KMT2A | |
| SCHEMBL13851783 | 0.80 | CTSA (0.51) | MEN1KMT2ACTSAFNTAFNTB | |
| SCHEMBL14767904 | 0.79 | CTSA (0.47) | MEN1KMT2ACTSAALDH1A1HPGD | |
| SCHEMBL27458592 | 0.78 | CTSA (0.55) | MEN1KMT2ACTSAALDH1A1HPGD | |
| SCHEMBL13851585 | 0.78 | CTSA (0.49) | MEN1KMT2ACYP1A2CYP2D6CYP2C9 | |
| SCHEMBL14396867 | 0.77 | CTSA (0.54) | MEN1KMT2ACTSAFNTAFNTB |
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-117550987-A | Method for synthesizing beta-amino acid compound based on alkene nitrogen carboxylation reaction | 四川大学 | 2024-02-13 | — | — | CN | disclosed |