Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | PGR | P06401 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | MMP1 | P03956 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL21667323 | 0.80 | CYP3A4 (0.54) | CYP3A4CYP2B6ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL24469577 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2B6SMN1; SMN2PGRPOLB | |
| SCHEMBL24469530 | 0.79 | CYP3A4 (0.57) | CYP3A4CYP2B6SMN1; SMN2PGRPOLB | |
| SCHEMBL21667279 | 0.78 | CYP3A4 (0.54) | CYP3A4CYP2B6ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL21667350 | 0.77 | CYP3A4 (0.53) | CYP3A4CYP2B6ALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL21667337 | 0.77 | CYP3A4 (0.53) | CYP3A4CYP2B6ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL24469460 | 0.77 | CYP3A4 (0.57) | CYP3A4CYP2B6ALDH1A1SMN1; SMN2PGR | |
| SCHEMBL21667318 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP2B6ALDH1A1LMNAL3MBTL1 | |
| SCHEMBL21667335 | 0.75 | CYP3A4 (0.51) | CYP3A4CYP2B6ALDH1A1L3MBTL1MEN1 | |
| SCHEMBL21667363 | 0.74 | CYP3A4 (0.50) | CYP3A4CYP2B6P2RX7 |
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 |