Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K4 | P45985 | 5/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.47 |
| ▸ | MAPKAPK3 | Q16644 | 3/20 | 0.47 |
| ▸ | MAPK6 | Q16659 | 3/20 | 0.47 |
| ▸ | MAPKAPK2 | P49137 | 2/20 | 0.46 |
| ▸ | MAPKAPK5 | Q8IW41 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.42 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.42 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27992673 | 0.84 | GABRA1 (0.56) | KDM4ESTAT3HIF1AALDH1A1LMNA | |
| SCHEMBL1964170 | 0.84 | PDPK1 (0.50) | KDM4ESTAT3HIF1AALDH1A1LMNA | |
| SCHEMBL4793050 | 0.84 | KDM4E (0.65) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 | |
| SCHEMBL1963000 | 0.82 | KDM4E (0.43) | KDM4ESTAT3HIF1AALDH1A1LMNA | |
| SCHEMBL5435670 | 0.81 | KDM4E (0.69) | KDM4ESTAT3HIF1AALDH1A1LMNA | |
| SCHEMBL23432094 | 0.81 | MAP2K4 (0.50) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 | |
| SCHEMBL27694399 | 0.79 | DYRK1A (0.49) | KDM4ESTAT3HIF1AALDH1A1LMNA | |
| SCHEMBL18967793 | 0.79 | MAP2K4 (0.54) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 | |
| SCHEMBL1406065 | 0.79 | MAP2K4 (0.61) | MAP2K4MAPK1MAPKAPK3MAPK6MAPKAPK2 | |
| Tert-Butyl Formate SCHEMBL27760082 | 0.78 | PDPK1 (0.43) | KDM4ESTAT3HIF1AALDH1A1LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |