Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 5/20 | 0.46 |
| ▸ | YAP1 | P46937 | 1/20 | 0.45 |
| ▸ | PLK4 | O00444 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.39 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29906760 | 0.82 | OPRK1 (0.40) | OPRK1YAP1PLK4LRRK2ALDH1A1 | |
| SCHEMBL29906763 | 0.82 | OPRK1 (0.40) | OPRK1YAP1PLK4LRRK2ALDH1A1 | |
| SCHEMBL23901208 | 0.82 | ALDH1A1 (0.50) | OPRK1YAP1PLK4LRRK2ALDH1A1 | |
| SCHEMBL29613526 | 0.79 | EZH2 (0.55) | OPRK1YAP1PLK4LRRK2EZH2 | |
| SCHEMBL13277356 | 0.79 | EZH2 (0.55) | OPRK1YAP1PLK4LRRK2EZH2 | |
| SCHEMBL28779898 | 0.79 | KDM4E (0.45) | OPRK1YAP1PLK4ALDH1A1KDM4E | |
| SCHEMBL28779894 | 0.79 | KDM4E (0.45) | OPRK1YAP1PLK4ALDH1A1KDM4E | |
| SCHEMBL28999518 | 0.78 | KDM4E (0.58) | ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL16935187 | 0.78 | OPRK1 (0.48) | OPRK1YAP1PLK4LRRK2EZH2 | |
| SCHEMBL13280292 | 0.78 | OPRK1 (0.43) | OPRK1YAP1PLK4LRRK2EZH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115916771-A | Multi-target antitumor compound and preparation method and application thereof | 浙江华海药业股份有限公司 | 2023-04-04 | — | — | CN | disclosed |
| WO-2021197467-A1 | MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 上海华汇拓医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |