Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ULK1 | O75385 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.43 |
| ▸ | GLA | P06280 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.39 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.39 |
| ▸ | XDH | P47989 | 2/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL28589073 | 0.88 | ULK1 (0.81) | ULK1KDM4EGLAGAACYP1A2 | |
| SCHEMBL28589089 | 0.88 | ULK1 (0.81) | ULK1KDM4EGLAGAACYP1A2 | |
| SCHEMBL28599878 | 0.85 | KDM4E (0.46) | ULK1KDM4EGLAGAAMAPT | |
| Dimethylamine SCHEMBL28589176 | 0.84 | ULK1 (0.44) | ULK1KDM4EGLAGAAMAPT | |
| SCHEMBL28594457 | 0.84 | ULK1 (0.51) | ULK1KDM4EGLAGAAMAPT | |
| SCHEMBL28589082 | 0.84 | ULK1 (0.51) | ULK1KDM4EGLAGAAMAPT | |
| SCHEMBL28591481 | 0.82 | ULK1 (0.48) | ULK1KDM4EGLAGAACYP1A2 | |
| SCHEMBL28585513 | 0.82 | ULK1 (0.48) | ULK1KDM4EGLAGAACYP1A2 | |
| SCHEMBL28589649 | 0.82 | SRD5A2 (0.52) | ULK1KDM4ECYP1A2NPC1RAB9A | |
| SCHEMBL28593849 | 0.82 | SRD5A2 (0.49) | ULK1KDM4ECYP1A2NPC1RAB9A |
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 |