Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.43 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.43 |
| ▸ | ULK1 | O75385 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | THRA | P10827 | 3/20 | 0.39 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28579350 | 0.96 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDKMT2ATP53 | |
| SCHEMBL28589084 | 0.85 | KDM4E (0.45) | ALDH1A1KDM4EHPGDKMT2ATP53 | |
| SCHEMBL28589110 | 0.85 | KDM4E (0.45) | ALDH1A1KDM4EHPGDKMT2ATP53 | |
| SCHEMBL28603627 | 0.85 | ULK1 (0.53) | ALDH1A1KDM4EHPGDKMT2ATP53 | |
| SCHEMBL28586650 | 0.84 | KDM4E (0.44) | ALDH1A1KDM4EHPGDKMT2ATP53 | |
| SCHEMBL28594441 | 0.84 | ALDH1A1 (0.44) | ALDH1A1KDM4EHPGDKMT2ATP53 | |
| SCHEMBL28916452 | 0.80 | EDNRA (0.45) | ALDH1A1KDM4EKMT2ATP53MEN1 | |
| SCHEMBL28581136 | 0.80 | EDNRA (0.47) | ALDH1A1KDM4EKMT2AMEN1NPC1 | |
| SCHEMBL28589122 | 0.78 | KDM4E (0.43) | ALDH1A1KDM4EHPGDKMT2ATP53 | |
| SCHEMBL28594454 | 0.78 | ALDH1A1 (0.46) | ALDH1A1KDM4EHPGDKMT2ATP53 |
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 |