Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24733020 | 1.00 | ALDH1A1 (0.43) | ALDH1A1MAPTKDM4EHTTTDP1 | |
| SCHEMBL29809100 | 0.86 | EGFR (0.53) | ALDH1A1MAPTKDM4EEGFRHRH3 | |
| SCHEMBL29809025 | 0.86 | EGFR (0.43) | ALDH1A1MAPTKDM4EHTTTDP1 | |
| SCHEMBL24733000 | 0.86 | EGFR (0.43) | ALDH1A1MAPTKDM4EHTTTDP1 | |
| SCHEMBL24732868 | 0.86 | EGFR (0.53) | ALDH1A1MAPTKDM4EEGFRHRH3 | |
| SCHEMBL24732675 | 0.83 | HRH3 (0.41) | ALDH1A1MAPTKDM4EHRH3HPGD | |
| SCHEMBL29977171 | 0.83 | HRH3 (0.41) | ALDH1A1MAPTKDM4EHRH3HPGD | |
| SCHEMBL24732595 | 0.83 | EGFR (0.45) | ALDH1A1MAPTKDM4EEGFRHPGD | |
| SCHEMBL29809575 | 0.83 | EGFR (0.45) | ALDH1A1MAPTKDM4EEGFRHPGD | |
| SCHEMBL24732862 | 0.82 | EGFR (0.44) | ALDH1A1MAPTKDM4EEGFRHPGD |
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 |