Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.59 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.52 |
| ▸ | GSTO1 | P78417 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28309753 | 0.84 | MEN1 (0.59) | ALDH1A1POLBLMNAL3MBTL1KDM4E | |
| SCHEMBL10842363 | 0.79 | APEX1 (0.67) | CYP3A4APEX1ALDH1A1POLBLMNA | |
| SCHEMBL28141066 | 0.79 | ALDH1A1 (0.59) | ALDH1A1POLBLMNAL3MBTL1KDM4E | |
| SCHEMBL28141074 | 0.78 | ALDH1A1 (0.57) | ALDH1A1LMNAGAAHPGDKMT2A | |
| SCHEMBL28141147 | 0.77 | HPGD (0.55) | CYP3A4ALDH1A1L3MBTL1KDM4EHPGD | |
| SCHEMBL1520594 | 0.77 | CYP3A4 (0.67) | CYP3A4ALDH1A1LMNAL3MBTL1KDM4E | |
| SCHEMBL12354776 | 0.77 | LTA4H (0.60) | ALDH1A1LMNAHPGD | |
| SCHEMBL1353595 | 0.76 | KMT2A (0.48) | ALDH1A1POLBLMNAL3MBTL1KDM4E | |
| SCHEMBL10842245 | 0.76 | APEX1 (0.61) | CYP3A4APEX1ALDH1A1POLBLMNA | |
| SCHEMBL28309027 | 0.75 | LMNA (0.62) | ALDH1A1POLBLMNAL3MBTL1KDM4E |
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-106632092-B | A kind of 1,3- dimethyl -7- substituted quinazoline -2,4- cyclohexadione compounds and its synthetic method and application | 重庆智合生物医药有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-106632092-A | 1,3-dimethyl-7-substituted-quinazolinyl-2,4-diones, and synthesis method and application thereof | 重庆智合生物医药有限公司 | 2017-05-10 | — | — | CN | disclosed |