Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | AKR1C3 | P42330 | 7/20 | 0.49 |
| ▸ | AKR1C2 | P52895 | 7/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.49 |
| ▸ | CDC42 | P60953 | 1/20 | 0.49 |
| ▸ | RAC1 | P63000 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.49 |
| ▸ | CTSA | P10619 | 3/20 | 0.48 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.47 |
| ▸ | RIOK2 | Q9BVS4 | 3/20 | 0.45 |
| ▸ | GSK3A | P49840 | 2/20 | 0.45 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29157140 | 1.00 | POLB (0.51) | POLBAKR1C3AKR1C2PTGS1AKR1C1 | |
| SCHEMBL29157113 | 0.88 | TP53 (0.52) | POLBTSHRCTSA | |
| SCHEMBL30801465 | 0.88 | TP53 (0.52) | POLBTSHRCTSA | |
| SCHEMBL29157156 | 0.81 | FNTA (0.59) | POLBTSHRCTSAFFAR1 | |
| SCHEMBL14401076 | 0.78 | UTS2R (0.50) | CYP1A2 | |
| SCHEMBL15782118 | 0.76 | AKR1C3 (0.62) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL29157145 | 0.76 | SMN1; SMN2 (0.52) | CYP1A2TSHRCTSA | |
| SCHEMBL3967988 | 0.74 | ABCB11 (0.67) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL9696473 | 0.74 | AKR1C3 (0.60) | AKR1C3AKR1C2PTGS1AKR1C1PTGS2 | |
| SCHEMBL29157107 | 0.74 | UTS2R (0.49) | TSHRCTSAFFAR1 |
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 |