Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OGA | O60502 | 17/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.36 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL24469635 | 0.82 | XDH (0.32) | IDH1XDH | |
| SCHEMBL30599760 | 0.82 | XDH (0.32) | IDH1XDH | |
| SCHEMBL24469573 | 0.81 | CYP3A4 (0.59) | OGACYP3A4CYP2B6IDH1 | |
| SCHEMBL24469549 | 0.81 | CYP3A4 (0.59) | OGACYP3A4CYP2B6IDH1 | |
| SCHEMBL31364128 | 0.79 | OGA (0.39) | OGACYP3A4CYP2B6IDH1 | |
| SCHEMBL26344128 | 0.79 | OGA (0.39) | OGACYP3A4CYP2B6IDH1 | |
| SCHEMBL16321911 | 0.75 | CYP3A4 (0.58) | CYP3A4CYP2B6IDH1 | |
| SCHEMBL16321912 | 0.75 | CYP3A4 (0.58) | CYP3A4CYP2B6IDH1 | |
| SCHEMBL24469529 | 0.72 | CYP3A4 (0.59) | OGACYP3A4CYP2B6IDH1 | |
| SCHEMBL2607335 | 0.68 | OGA (0.48) | OGA |
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 2 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 |