Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.76 |
| ▸ | XDH | P47989 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28603480 | 0.86 | ULK1 (0.76) | ULK1XDHNPC1RAB9AKDM4E | |
| SCHEMBL28581092 | 0.86 | ULK1 (1.00) | ULK1XDHNPC1RAB9AKDM4E | |
| SCHEMBL28594030 | 0.85 | ULK1 (0.74) | ULK1XDHNPC1RAB9AKDM4E | |
| SCHEMBL28581087 | 0.85 | ULK1 (0.87) | ULK1XDHNPC1RAB9AKDM4E | |
| SCHEMBL28585978 | 0.85 | ULK1 (0.78) | ULK1XDHNPC1RAB9AKDM4E | |
| SCHEMBL28591494 | 0.84 | ULK1 (0.72) | ULK1XDHNPC1RAB9AKDM4E | |
| SCHEMBL28917162 | 0.83 | ULK1 (0.70) | ULK1XDHKDM4EGAAGLA | |
| SCHEMBL28583335 | 0.82 | ULK1 (0.69) | ULK1XDHKDM4EGAACYP1A2 | |
| SCHEMBL28579348 | 0.82 | ULK1 (0.69) | ULK1XDHCYP1A2ALDH1A1PRMT5 | |
| SCHEMBL28589073 | 0.82 | ULK1 (0.81) | ULK1XDHNPC1RAB9AKDM4E |
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 |