Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.40 |
| ▸ | CYP3A5 | P20815 | 5/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | CASR | P41180 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | HTR2B | P41595 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24320669 | 0.79 | CYP3A4 (0.41) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL22544183 | 0.78 | CYP3A4 (0.45) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL17186902 | 0.75 | CYP3A4 (0.45) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL14236953 | 0.71 | CYP19A1 (0.36) | CYP3A4CYP3A5ALDH1A1HSD11B1CYP2C9 | |
| SCHEMBL4978091 | 0.71 | SLC6A4 (0.39) | MEN1KMT2AKCNH2PKM | |
| SCHEMBL1690351 | 0.70 | HDAC3 (0.42) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL29924192 | 0.69 | CYP3A4 (0.41) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL31159673 | 0.68 | HDAC3 (0.39) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL22009767 | 0.68 | HDAC3 (0.39) | CYP3A4CYP3A5HDAC3HDAC1HDAC2 | |
| SCHEMBL2949151 | 0.68 | MEN1 (0.41) | CYP2C9CYP2C19MEN1KMT2AHTR2A |
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-115667250-A | Heterocyclic GLP-1 agonists | 加舒布鲁姆生物公司 | 2023-01-31 | — | — | CN | disclosed |