Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | BRPF1 | P55201 | 4/20 | 0.35 |
| ▸ | BRD4 | O60885 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.31 |
| ▸ | IDH1 | O75874 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28579388 | 0.86 | ULK1 (0.41) | ULK1ALDH1A1KDM4ECYP2C9BRPF1 | |
| SCHEMBL28583277 | 0.85 | ULK1 (0.52) | ULK1ALDH1A1KDM4ECYP1A2CYP2C9 | |
| SCHEMBL28600383 | 0.83 | ULK1 (0.50) | ULK1ALDH1A1KDM4EBRPF1BRD4 | |
| SCHEMBL28586707 | 0.83 | ULK1 (0.50) | ULK1ALDH1A1KDM4EBRPF1BRD4 | |
| SCHEMBL28588147 | 0.77 | MAPT (0.55) | ULK1ALDH1A1KMT2AL3MBTL1ATM | |
| SCHEMBL28581152 | 0.74 | BRPF1 (0.43) | ULK1ALDH1A1KDM4EBRPF1BRD4 | |
| SCHEMBL28599870 | 0.72 | ULK1 (0.40) | ULK1ALDH1A1KDM4ECYP2C9BRPF1 | |
| SCHEMBL28586626 | 0.72 | ULK1 (0.40) | ULK1ALDH1A1KDM4ECYP2C9BRPF1 | |
| SCHEMBL20604833 | 0.70 | ALDH1A1 (0.46) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9 | |
| SCHEMBL28581092 | 0.68 | ULK1 (1.00) | ULK1ALDH1A1KDM4ECYP1A2BRD4 |
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 |