Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.38 |
| ▸ | CCNC | P24863 | 2/20 | 0.38 |
| ▸ | CDK8 | P49336 | 2/20 | 0.38 |
| ▸ | ULK1 | O75385 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CFD | P00746 | 1/20 | 0.33 |
| ▸ | F9 | P00740 | 1/20 | 0.33 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | STING1 | Q86WV6 | 1/20 | 0.33 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | EDNRA | P25101 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL30169450 | 0.90 | ULK1 (0.43) | KDM4ECCNCCDK8ULK1MAPT | |
| SCHEMBL28599943 | 0.90 | ULK1 (0.43) | KDM4ECCNCCDK8ULK1MAPT | |
| SCHEMBL28594472 | 0.90 | KDM4E (0.41) | KDM4EMAP3K8CCNCCDK8ULK1 | |
| SCHEMBL28588121 | 0.89 | ULK1 (0.46) | KDM4EMAP3K8CCNCCDK8ULK1 | |
| SCHEMBL30169428 | 0.89 | ULK1 (0.46) | KDM4EMAP3K8CCNCCDK8ULK1 | |
| Dimethylamine SCHEMBL28593869 | 0.86 | ULK1 (0.47) | MAP3K8CCNCCDK8ULK1TBXAS1 | |
| SCHEMBL28585883 | 0.83 | TBXAS1 (0.38) | MAP3K8CCNCCDK8ULK1TBXAS1 | |
| SCHEMBL28600553 | 0.80 | ULK1 (0.43) | KDM4ECCNCCDK8ULK1MAPT | |
| SCHEMBL30169475 | 0.80 | ULK1 (0.43) | KDM4ECCNCCDK8ULK1MAPT | |
| SCHEMBL30169441 | 0.78 | ULK1 (0.53) | KDM4ECCNCCDK8ULK1MAPT |
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 |