Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EDNRA | P25101 | 1/20 | 0.47 |
| ▸ | F9 | P00740 | 1/20 | 0.44 |
| ▸ | F10 | P00742 | 1/20 | 0.44 |
| ▸ | GCK | P35557 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | SENP5 | Q96HI0 | 1/20 | 0.39 |
| ▸ | SENP2 | Q9HC62 | 1/20 | 0.39 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | ULK1 | O75385 | 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 | |
|---|---|---|---|---|
| SCHEMBL30169328 | 1.00 | EDNRA (0.47) | EDNRAF9F10GCKHPGD | |
| SCHEMBL28586629 | 0.92 | EDNRA (0.52) | EDNRAF9F10GCKLMNA | |
| SCHEMBL30169386 | 0.92 | EDNRA (0.49) | EDNRAF9F10GCKHPGD | |
| SCHEMBL28586632 | 0.92 | EDNRA (0.49) | EDNRAF9F10GCKHPGD | |
| SCHEMBL28581394 | 0.84 | ULK1 (0.43) | F9HPGDLMNAALDH1A1TSHR | |
| SCHEMBL30169462 | 0.84 | ULK1 (0.43) | F9HPGDLMNAALDH1A1TSHR | |
| SCHEMBL28591639 | 0.84 | EDNRA (0.54) | EDNRAF9F10GCKLMNA | |
| SCHEMBL30169441 | 0.83 | ULK1 (0.53) | F9F10HPGDLMNAALDH1A1 | |
| SCHEMBL28603488 | 0.83 | ULK1 (0.53) | F9F10HPGDLMNAALDH1A1 | |
| SCHEMBL27252557 | 0.81 | F9 (0.66) | F9F10HPGDLMNASENP5 |
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 |