Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 3/20 | 0.42 |
| ▸ | DDO | Q99489 | 2/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.41 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.41 |
| ▸ | MGAM | O43451 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 6/20 | 0.40 |
| ▸ | SI | P14410 | 6/20 | 0.40 |
| ▸ | MGAM2 | Q2M2H8 | 6/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4735747 | 0.82 | IMPDH2 (0.47) | CYP1A2PARP1DAODDOPDE3B | |
| SCHEMBL15846753 | 0.79 | FEN1 (0.49) | PDE3BPDE3AADORA3KDM4EALDH1A1 | |
| SCHEMBL1620185 | 0.79 | PARP1 (0.44) | CYP1A2PARP1DAOPDE3BPDE3A | |
| SCHEMBL11312864 | 0.77 | MGAM (0.34) | CYP1A2PARP1DAODDOPDE3B | |
| Benzoylenurea SCHEMBL357451 | 0.71 | ALDH1A1 (0.58) | CYP1A2PARP1DAODDOGAA | |
| Benzoylenurea SCHEMBL29947820 | 0.71 | ALDH1A1 (0.58) | CYP1A2PARP1DAODDOGAA | |
| SCHEMBL28445675 | 0.71 | MAPK1 (0.60) | CYP1A2DAODDOMGAMGAA | |
| SCHEMBL6008331 | 0.70 | GPR84 (0.48) | CYP1A2PARP1DAODDOMAPK1 | |
| SCHEMBL30715250 | 0.70 | GPR84 (0.48) | CYP1A2PARP1DAODDOMAPK1 | |
| SCHEMBL14843284 | 0.69 | PARP1 (0.49) | PARP1DAODDOMGAMGAA |
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-114807987-B | Electrochemical method for preparing fused polycyclic quinazolinone derivative | 哈尔滨工业大学（深圳） | 2023-10-03 | — | — | CN | disclosed |
| CN-114807987-A | Electrochemical method for preparing condensed polycyclic quinazolinone derivative | 哈尔滨工业大学（深圳） | 2022-07-29 | — | — | CN | disclosed |