Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.81 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL28589089 | 0.90 | ULK1 (0.81) | ULK1XDHKDM4EGLAGAA | |
| SCHEMBL28581092 | 0.90 | ULK1 (1.00) | ULK1XDHKDM4EGLAGAA | |
| SCHEMBL28581087 | 0.88 | ULK1 (0.87) | ULK1XDHKDM4EGLAGAA | |
| SCHEMBL28916483 | 0.88 | ULK1 (0.61) | ULK1XDHKDM4EGLAGAA | |
| SCHEMBL28579340 | 0.87 | ULK1 (0.61) | ULK1KDM4EGLAGAAKMT2A | |
| Dimethylamine SCHEMBL28593876 | 0.86 | ULK1 (0.60) | ULK1KDM4EGLAGAAMAPT | |
| SCHEMBL28583274 | 0.84 | ULK1 (0.79) | ULK1XDHKDM4EGLAMAPT | |
| SCHEMBL28599900 | 0.83 | ULK1 (0.87) | ULK1XDHKDM4EGLAGAA | |
| SCHEMBL28603482 | 0.83 | ULK1 (0.81) | ULK1XDHKDM4EGLAGAA | |
| SCHEMBL28585903 | 0.83 | ULK1 (0.81) | ULK1XDHKDM4EGLAGAA |
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 |