Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 4/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | DUT | P33316 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31295473 | 0.83 | MAOB (0.42) | HTR2CHTR6SLC6A4DUTSLC6A2 | |
| SCHEMBL31295508 | 0.80 | CYP3A4 (0.47) | CYP3A4CYP2B6SLC6A4SLC6A2POLB | |
| SCHEMBL16321750 | 0.75 | CYP3A4 (0.74) | CYP3A4CYP2B6PGRDUTSLC6A2 | |
| SCHEMBL31686185 | 0.75 | CYP3A4 (0.74) | CYP3A4CYP2B6PGRDUTSLC6A2 | |
| SCHEMBL16321751 | 0.75 | CYP3A4 (0.74) | CYP3A4CYP2B6PGRDUTSLC6A2 | |
| SCHEMBL31295563 | 0.75 | PTGS2 (0.40) | CYP3A4CYP2B6PGRSLC6A4SLC6A2 | |
| SCHEMBL31295583 | 0.74 | CYP3A4 (0.39) | CYP3A4CYP2B6 | |
| SCHEMBL17319365 | 0.69 | SLC6A4 (0.49) | HTR2CHTR6SLC6A4IDO1TDO2 | |
| SCHEMBL31295496 | 0.68 | PGR (0.44) | PGRHTR2CHTR6SLC6A4MET | |
| SCHEMBL31295491 | 0.68 | PGR (0.44) | PGRHTR2CHTR6SLC6A4MET |
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 |