Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.47 |
| ▸ | GRM4 | Q14833 | 2/20 | 0.46 |
| ▸ | KCNJ5 | P48544 | 1/20 | 0.44 |
| ▸ | KCNJ3 | P48549 | 1/20 | 0.44 |
| ▸ | CTSA | P10619 | 4/20 | 0.43 |
| ▸ | DRD1 | P21728 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 4/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | DAGLA | Q9Y4D2 | 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 | |
|---|---|---|---|---|
| SCHEMBL29157126 | 0.82 | CTSA (0.51) | CTSAPGRARFFAR1MMP12 | |
| SCHEMBL29157112 | 0.80 | CTSA (0.52) | CTSAFFAR1 | |
| SCHEMBL29157164 | 0.80 | MAPT (0.49) | CTSAFFAR1 | |
| SCHEMBL5199829 | 0.80 | ADORA3 (0.55) | CTSAFFAR1 | |
| SCHEMBL29157116 | 0.79 | FFAR1 (0.49) | CTSAFFAR1TRPV1 | |
| SCHEMBL29157134 | 0.78 | CTSA (0.49) | CTSAPGRARFFAR1MMP12 | |
| SCHEMBL5200268 | 0.75 | POLB (0.57) | CTSAFFAR1 | |
| SCHEMBL29157146 | 0.75 | CTSA (0.46) | CTSAPGRARFFAR1MMP12 | |
| SCHEMBL29157148 | 0.75 | MMP12 (0.53) | CTSAMMP12MMP13 | |
| SCHEMBL29157110 | 0.73 | CTSA (0.46) | CTSAPGRARFFAR1MMP12 |
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 |