Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ACP1 | P24666 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | PDE5A | O76074 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL24732840 | 1.00 | EGFR (0.46) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL24732827 | 0.91 | EGFR (0.45) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL29809050 | 0.91 | EGFR (0.45) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL29809494 | 0.89 | EGFR (0.45) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL24733032 | 0.89 | EGFR (0.45) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL24732868 | 0.88 | EGFR (0.53) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL29809100 | 0.88 | EGFR (0.53) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL24732595 | 0.86 | EGFR (0.45) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL29809575 | 0.86 | EGFR (0.45) | EGFRACHEMAPTMAPK1NPSR1 | |
| SCHEMBL24733000 | 0.86 | EGFR (0.43) | EGFRMAPTMAPK1NPSR1ALDH1A1 |
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-114805341-B | Aromatic heterocyclic compound, and preparation method and application thereof | 上海翊石医药科技有限公司 | 2023-12-08 | — | — | CN | disclosed |
| CN-114805341-A | Aromatic heterocyclic compounds and preparation method and application thereof | 上海翊石医药科技有限公司 | 2022-07-29 | — | — | CN | disclosed |