Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | PIK3CB | P42338 | 2/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 3/20 | 0.33 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL29666986 | 1.00 | CYP3A4 (0.55) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL29666985 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL24469637 | 0.83 | CYP3A4 (0.55) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL24469474 | 0.83 | ALDH1A1 (0.39) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL24469530 | 0.81 | CYP3A4 (0.57) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL24469460 | 0.81 | CYP3A4 (0.57) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL24469577 | 0.81 | CYP3A4 (0.57) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL24469619 | 0.80 | CYP3A4 (0.56) | CYP3A4CYP2B6HTTSMN1; SMN2PIK3CB | |
| SCHEMBL24469549 | 0.77 | CYP3A4 (0.59) | CYP3A4CYP2B6HTTSMN1; SMN2IDH1 | |
| SCHEMBL24469529 | 0.77 | CYP3A4 (0.59) | CYP3A4CYP2B6HTTSMN1; SMN2IDH1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022111498-A1 | PYRIMIDINEDIONE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2022-06-02 | — | — | WO | disclosed |