Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.61 |
| ▸ | EIF4A3 | P38919 | 3/20 | 0.44 |
| ▸ | IDO1 | P14902 | 4/20 | 0.43 |
| ▸ | TDO2 | P48775 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RHEB | Q15382 | 2/20 | 0.39 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.38 |
| ▸ | THRA | P10827 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Dimethylamine SCHEMBL28593876 | 0.96 | ULK1 (0.60) | ULK1EIF4A3IDO1TDO2KDM4E | |
| SCHEMBL28581077 | 0.90 | ULK1 (0.61) | ULK1EIF4A3IDO1TDO2KDM4E | |
| SCHEMBL28599903 | 0.89 | ULK1 (0.75) | ULK1EIF4A3IDO1TDO2KDM4E | |
| SCHEMBL28599878 | 0.88 | KDM4E (0.46) | ULK1EIF4A3IDO1TDO2KDM4E | |
| SCHEMBL28589073 | 0.87 | ULK1 (0.81) | ULK1IDO1TDO2KDM4EGLA | |
| Methylamine SCHEMBL28933538 | 0.86 | ULK1 (0.71) | ULK1EIF4A3IDO1TDO2KDM4E | |
| Dimethylamine SCHEMBL28603478 | 0.86 | ULK1 (0.60) | ULK1EIF4A3IDO1TDO2KDM4E | |
| Dimethylamine SCHEMBL28589577 | 0.85 | ULK1 (0.74) | ULK1EIF4A3IDO1TDO2KDM4E | |
| Dimethylamine SCHEMBL28589176 | 0.84 | ULK1 (0.44) | ULK1EIF4A3IDO1TDO2KDM4E | |
| SCHEMBL28593868 | 0.83 | ULK1 (0.60) | ULK1EIF4A3IDO1TDO2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112358435-A | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2021-02-12 | — | — | CN | claimed |
| CN-112358435-B | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2023-01-10 | — | — | CN | disclosed |
| CN-112358435-A | Substituted aromatic heterocyclic compound, preparation method, ULK1 inhibition and antitumor application | 中国医学科学院医药生物技术研究所 | 2021-02-12 | — | — | CN | disclosed |