Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | STING1 | Q86WV6 | 3/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.38 |
| ▸ | MAP3K8 | P41279 | 2/20 | 0.37 |
| ▸ | CCNC | P24863 | 1/20 | 0.37 |
| ▸ | CDK8 | P49336 | 1/20 | 0.37 |
| ▸ | ULK1 | O75385 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | F9 | P00740 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.33 |
| ▸ | RXRB | P28702 | 1/20 | 0.33 |
| ▸ | RXRG | P48443 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28581394 | 0.90 | ULK1 (0.43) | ALDH1A1HPGDTDP1STING1CCNC | |
| SCHEMBL30169462 | 0.90 | ULK1 (0.43) | ALDH1A1HPGDTDP1STING1CCNC | |
| SCHEMBL28585883 | 0.90 | TBXAS1 (0.38) | ALDH1A1HPGDTDP1STING1TBXAS1 | |
| SCHEMBL30169428 | 0.88 | ULK1 (0.46) | ALDH1A1STING1TBXAS1MAP3K8CCNC | |
| SCHEMBL28588121 | 0.88 | ULK1 (0.46) | ALDH1A1STING1TBXAS1MAP3K8CCNC | |
| Dimethylamine SCHEMBL28593869 | 0.85 | ULK1 (0.47) | ALDH1A1STING1TBXAS1MAP3K8CCNC | |
| SCHEMBL28586629 | 0.84 | EDNRA (0.52) | MAP3K8EDNRAKMT2AF9 | |
| SCHEMBL28594472 | 0.83 | KDM4E (0.41) | ALDH1A1STING1TBXAS1MAP3K8CCNC | |
| SCHEMBL28589589 | 0.80 | ULK1 (0.43) | ALDH1A1HPGDSTING1CCNCCDK8 | |
| SCHEMBL30169498 | 0.80 | ULK1 (0.43) | ALDH1A1HPGDSTING1CCNCCDK8 |
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 |