Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.53 |
| ▸ | CCNC | P24863 | 2/20 | 0.44 |
| ▸ | CDK8 | P49336 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | F9 | P00740 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 2/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.39 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL30169441 | 1.00 | ULK1 (0.53) | ULK1CCNCCDK8HPGDALDH1A1 | |
| SCHEMBL28599943 | 0.90 | ULK1 (0.43) | ULK1CCNCCDK8HPGDALDH1A1 | |
| SCHEMBL28600553 | 0.90 | ULK1 (0.43) | ULK1CCNCCDK8HPGDALDH1A1 | |
| SCHEMBL30169475 | 0.90 | ULK1 (0.43) | ULK1CCNCCDK8HPGDALDH1A1 | |
| SCHEMBL30169450 | 0.90 | ULK1 (0.43) | ULK1CCNCCDK8HPGDALDH1A1 | |
| Dimethylamine SCHEMBL28593869 | 0.89 | ULK1 (0.47) | ULK1CCNCCDK8ALDH1A1F9 | |
| SCHEMBL28588121 | 0.89 | ULK1 (0.46) | ULK1CCNCCDK8ALDH1A1F9 | |
| SCHEMBL30169428 | 0.89 | ULK1 (0.46) | ULK1CCNCCDK8ALDH1A1F9 | |
| SCHEMBL28589589 | 0.89 | ULK1 (0.43) | ULK1CCNCCDK8HPGDALDH1A1 | |
| SCHEMBL28581394 | 0.89 | ULK1 (0.43) | ULK1CCNCCDK8HPGDALDH1A1 |
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 |