Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | APAF1 | O14727 | 1/20 | 0.36 |
| ▸ | TDP2 | O95551 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.36 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.36 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.34 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28591494 | 0.82 | ULK1 (0.72) | ULK1ALDH1A1KDM4EMAPTXDH | |
| SCHEMBL28599894 | 0.81 | ULK1 (0.74) | ULK1ALDH1A1KDM4EMAPTXDH | |
| SCHEMBL28591677 | 0.81 | ULK1 (0.60) | ULK1KDM4EMAPTXDHAPAF1 | |
| SCHEMBL28579348 | 0.80 | ULK1 (0.69) | ULK1ALDH1A1XDHPRMT5WDR77 | |
| SCHEMBL28594451 | 0.80 | ULK1 (0.62) | ULK1ALDH1A1KDM4EMAPTXDH | |
| SCHEMBL28581092 | 0.77 | ULK1 (1.00) | ULK1ALDH1A1KDM4EMAPTXDH | |
| SCHEMBL28603480 | 0.77 | ULK1 (0.76) | ULK1ALDH1A1KDM4EMAPTXDH | |
| SCHEMBL28591499 | 0.77 | ULK1 (0.76) | ULK1ALDH1A1KDM4EMAPTXDH | |
| SCHEMBL28583274 | 0.77 | ULK1 (0.79) | ULK1ALDH1A1KDM4EMAPTXDH | |
| SCHEMBL28594030 | 0.76 | ULK1 (0.74) | ULK1ALDH1A1KDM4EMAPTXDH |
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 |