Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | MET | P08581 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.34 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 4/20 | 0.33 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.32 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.32 |
| ▸ | WNT3A | P56704 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31295508 | 0.82 | CYP3A4 (0.47) | CYP3A4CYP2B6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31295583 | 0.78 | CYP3A4 (0.39) | CYP3A4CYP2B6MAOBCTNNB1WNT3A | |
| SCHEMBL31295576 | 0.75 | CYP3A4 (0.47) | METCYP3A4CYP2B6SLC6A2SLC6A4 | |
| SCHEMBL30548028 | 0.69 | PTGS2 (0.53) | PTGS2CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL84922 | 0.69 | PTGS2 (0.53) | PTGS2CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27964611 | 0.67 | CYP2A6 (0.47) | PTGS2CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL19901078 | 0.66 | PTGS2 (0.50) | PTGS2CYP3A4SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6263511 | 0.64 | PTGS2 (0.78) | PTGS2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14833858 | 0.64 | PTGS2 (0.56) | PTGS2SLC6A2SLC6A4SLC6A3CTNNB1 | |
| SCHEMBL14723295 | 0.63 | PTGS2 (0.50) | PTGS2CYP3A4SLC6A2SLC6A4SLC6A3 |
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-119118931-A | Barbituric acid derivative and preparation method thereof | 武汉绿合医药科技有限公司 | 2024-12-13 | — | — | CN | disclosed |