Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | OGA | O60502 | 17/20 | 0.38 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24469573 | 1.00 | CYP3A4 (0.59) | CYP3A4CYP2B6HTTSMN1; SMN2OGA | |
| SCHEMBL24469529 | 0.91 | CYP3A4 (0.59) | CYP3A4CYP2B6HTTSMN1; SMN2OGA | |
| SCHEMBL24469572 | 0.84 | CYP3A4 (0.67) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL30599769 | 0.84 | CYP3A4 (0.67) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL24469516 | 0.84 | CYP3A4 (0.67) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL16322368 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2B6HTTSMN1; SMN2OGA | |
| SCHEMBL16322370 | 0.83 | CYP3A4 (0.62) | CYP3A4CYP2B6HTTSMN1; SMN2OGA | |
| SCHEMBL24469575 | 0.82 | CYP3A4 (0.64) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL24469576 | 0.82 | CYP3A4 (0.64) | CYP3A4CYP2B6HTTSMN1; SMN2 | |
| SCHEMBL24469574 | 0.82 | CYP3A4 (0.64) | CYP3A4CYP2B6HTTSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116507621-A | Pyrimidine diketone derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-07-28 | — | — | CN | disclosed |
| 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 |
| 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 |