Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | EED | O75530 | 4/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.32 |
| ▸ | RRM1 | P23921 | 3/20 | 0.32 |
| ▸ | RRM2B | Q7LG56 | 3/20 | 0.32 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL24469637 | 0.81 | CYP3A4 (0.55) | CYP3A4CYP2B6SMN1; SMN2HTTUSP2 | |
| SCHEMBL29666985 | 0.81 | CYP3A4 (0.55) | CYP3A4CYP2B6SMN1; SMN2HTTUSP2 | |
| SCHEMBL24469691 | 0.81 | EED (0.46) | EEDSUZ12EZH2 | |
| SCHEMBL16322192 | 0.79 | CYP3A4 (0.66) | CYP3A4CYP2B6SMN1; SMN2HTTPGR | |
| SCHEMBL16321851 | 0.79 | CYP3A4 (0.66) | CYP3A4CYP2B6SMN1; SMN2HTTPGR | |
| SCHEMBL16321847 | 0.79 | CYP3A4 (0.66) | CYP3A4CYP2B6SMN1; SMN2HTTPGR | |
| SCHEMBL24469529 | 0.78 | CYP3A4 (0.59) | CYP3A4CYP2B6SMN1; SMN2HTT | |
| SCHEMBL24469573 | 0.76 | CYP3A4 (0.59) | CYP3A4CYP2B6SMN1; SMN2HTT | |
| SCHEMBL24469549 | 0.76 | CYP3A4 (0.59) | CYP3A4CYP2B6SMN1; SMN2HTT | |
| SCHEMBL16324610 | 0.72 | CYP3A4 (0.60) | CYP3A4CYP2B6SMN1; SMN2HTTPGR |
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 |