Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 3/20 | 0.42 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | YAP1 | P46937 | 1/20 | 0.41 |
| ▸ | PLK4 | O00444 | 1/20 | 0.41 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.39 |
| ▸ | NSD2 | O96028 | 1/20 | 0.39 |
| ▸ | IRAK4 | Q9NWZ3 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL23901206 | 0.82 | OPRK1 (0.46) | ALDH1A1KDM4EYAP1PLK4KMT2A | |
| SCHEMBL28999518 | 0.76 | KDM4E (0.58) | ALDH1A1KDM4EGAAKMT2AHPGD | |
| SCHEMBL26628779 | 0.74 | KDM4E (0.56) | ALDH1A1KDM4EGAAYAP1PLK4 | |
| SCHEMBL21724833 | 0.73 | OPRK1 (0.46) | CHEK1CHEK2PLK4OPRK1IRAK4 | |
| SCHEMBL30201761 | 0.73 | OPRK1 (0.46) | CHEK1CHEK2PLK4OPRK1IRAK4 | |
| SCHEMBL28999504 | 0.72 | PLK4 (0.39) | ALDH1A1KDM4ECHEK1CHEK2YAP1 | |
| SCHEMBL4519070 | 0.72 | ROCK2 (0.52) | ALDH1A1KDM4ECHEK1CHEK2GAA | |
| SCHEMBL13279719 | 0.72 | YAP1 (0.41) | ALDH1A1KDM4EGAAYAP1PLK4 | |
| SCHEMBL29613526 | 0.72 | EZH2 (0.55) | YAP1PLK4OPRK1LRRK2 | |
| SCHEMBL13277356 | 0.72 | EZH2 (0.55) | YAP1PLK4OPRK1LRRK2 |
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 |