Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.34 |
| ▸ | NCF1 | P14598 | 3/20 | 0.34 |
| ▸ | NOS2 | P35228 | 1/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | GPR3 | P46089 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 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 | |
|---|---|---|---|---|
| Phthalazine SCHEMBL4646099 | 0.98 | ALDH1A1 (0.43) | ALDH1A1MAPTGLAHPGDACHE | |
| Phthalazine SCHEMBL28873248 | 0.98 | ALDH1A1 (0.43) | ALDH1A1MAPTGLAHPGDACHE | |
| Cinnoline SCHEMBL8197 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTGLAHPGDACHE | |
| Cinnoline SCHEMBL29367576 | 0.89 | ALDH1A1 (0.50) | ALDH1A1MAPTGLAHPGDACHE | |
| Isoquinoline SCHEMBL7076555 | 0.88 | EGFR (0.39) | ALDH1A1MAPTGLAHPGDACHE | |
| Cinnoline SCHEMBL8589764 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGLAHPGDACHE | |
| Cinnoline SCHEMBL29388384 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGLAHPGDACHE | |
| Cinnoline SCHEMBL29733325 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGLAHPGDACHE | |
| Cinnoline SCHEMBL29184286 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGLAHPGDACHE | |
| Cinnoline SCHEMBL29067411 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPTGLAHPGDACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-110267950-A | Substituted heteroaryl pyrrolones and its salt and its purposes as herbicidal active compounds | 拜耳作物科学股份公司 | 2019-09-20 | — | — | CN | disclosed |