Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.73 |
| ▸ | RHEB | Q15382 | 1/20 | 0.46 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.41 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | MAP2 | P11137 | 3/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | TDO2 | P48775 | 1/20 | 0.36 |
| ▸ | F2 | P00734 | 1/20 | 0.35 |
| ▸ | PLG | P00747 | 1/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | PLAT | P00750 | 1/20 | 0.35 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | GLA | P06280 | 2/20 | 0.35 |
| ▸ | EIF4A3 | P38919 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28933538 | 0.87 | ULK1 (0.71) | ULK1RHEBIDO1TDO2EIF4A3 | |
| SCHEMBL28599903 | 0.87 | ULK1 (0.75) | ULK1RHEBIDO1TDO2EIF4A3 | |
| SCHEMBL28581092 | 0.84 | ULK1 (1.00) | ULK1IDO1TDO2GLAHDAC3 | |
| SCHEMBL28583313 | 0.84 | ULK1 (0.80) | ULK1IDO1TDO2GLAEIF4A3 | |
| Dimethylamine SCHEMBL28589577 | 0.83 | ULK1 (0.74) | ULK1RHEBIDO1TDO2EIF4A3 | |
| SCHEMBL28595395 | 0.81 | ULK1 (0.74) | ULK1GLAKDM4EMAPTALDH1A1 | |
| SCHEMBL28593837 | 0.81 | ULK1 (0.74) | ULK1IDO1TDO2GLAEIF4A3 | |
| SCHEMBL28581087 | 0.78 | ULK1 (0.87) | ULK1IDO1GLAHDAC3HDAC4 | |
| SCHEMBL28599900 | 0.78 | ULK1 (0.87) | ULK1IDO1TDO2GLAHDAC3 | |
| SCHEMBL29540084 | 0.78 | IDO1 (0.54) | ULK1RHEBIDO1GLAHDAC3 |
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 |