Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.69 |
| ▸ | IDO1 | P14902 | 12/20 | 0.44 |
| ▸ | TDO2 | P48775 | 12/20 | 0.44 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL28591494 | 0.87 | ULK1 (0.72) | ULK1IDO1TDO2XDHPRMT5 | |
| SCHEMBL28581092 | 0.82 | ULK1 (1.00) | ULK1IDO1TDO2XDHPRMT5 | |
| SCHEMBL28603480 | 0.82 | ULK1 (0.76) | ULK1XDHPRMT5WDR77CYP1A2 | |
| SCHEMBL28591499 | 0.82 | ULK1 (0.76) | ULK1XDHPRMT5WDR77CYP1A2 | |
| SCHEMBL28594030 | 0.81 | ULK1 (0.74) | ULK1IDO1TDO2XDHCYP1A2 | |
| SCHEMBL28585978 | 0.81 | ULK1 (0.78) | ULK1XDHPRMT5WDR77CYP1A2 | |
| SCHEMBL28581087 | 0.81 | ULK1 (0.87) | ULK1IDO1XDHCYP1A2ALDH1A1 | |
| SCHEMBL28589064 | 0.80 | ULK1 (0.62) | ULK1XDHPRMT5WDR77ALDH1A1 | |
| SCHEMBL28589073 | 0.80 | ULK1 (0.81) | ULK1IDO1TDO2XDHCYP1A2 | |
| SCHEMBL28917162 | 0.79 | ULK1 (0.70) | ULK1IDO1TDO2XDHPRMT5 |
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 |