Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 1/20 | 0.54 |
| ▸ | GCK | P35557 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | F9 | P00740 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.40 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.40 |
| ▸ | MAP3K8 | P41279 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 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 | |
|---|---|---|---|---|
| SCHEMBL28586632 | 0.92 | EDNRA (0.49) | EDNRAGCKMEN1KMT2AF9 | |
| SCHEMBL30169386 | 0.92 | EDNRA (0.49) | EDNRAGCKMEN1KMT2AF9 | |
| SCHEMBL28586629 | 0.91 | EDNRA (0.52) | EDNRAGCKMEN1KMT2AF9 | |
| SCHEMBL28585883 | 0.84 | TBXAS1 (0.38) | EDNRAF9MAP3K8PPARA | |
| SCHEMBL30169328 | 0.84 | EDNRA (0.47) | EDNRAGCKMEN1KMT2AF9 | |
| SCHEMBL28583317 | 0.84 | EDNRA (0.47) | EDNRAGCKMEN1KMT2AF9 | |
| SCHEMBL30169428 | 0.83 | ULK1 (0.46) | EDNRAMEN1KMT2AF9MCL1 | |
| SCHEMBL28588121 | 0.83 | ULK1 (0.46) | EDNRAMEN1KMT2AF9MCL1 | |
| Dimethylamine SCHEMBL28593869 | 0.80 | ULK1 (0.47) | KMT2AF9F10MCL1MAP3K8 | |
| SCHEMBL28589600 | 0.78 | KDM4E (0.41) | EDNRAKMT2AF9MAP3K8 |
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 |