Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | G6PD | P11413 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MBOAT4 | Q96T53 | 3/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 2/20 | 0.33 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1704969 | 0.71 | HSP90AA1 (0.47) | ADORA2AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL13575846 | 0.70 | PIK3CA (0.41) | ADORA2AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL10569355 | 0.67 | ALDH1A1 (0.45) | ADORA2AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL2947663 | 0.67 | ALDH1A1 (0.46) | ADORA2AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL21756757 | 0.67 | ALDH1A1 (0.42) | ADORA2AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL18072509 | 0.67 | NUDT1 (0.73) | ADORA2AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL30819099 | 0.66 | MAPT (0.37) | ALDH1A1MAPTKMT2AL3MBTL1CNR2 | |
| SCHEMBL11581915 | 0.66 | LMNA (0.39) | ALDH1A1KDM4E | |
| SCHEMBL16097791 | 0.66 | MEN1 (0.39) | ADORA2AALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL13745731 | 0.66 | ADORA2A (0.40) | ADORA2AALDH1A1MAPTMEN1KMT2A |
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-110642838-B | EGFR inhibitor and preparation and application thereof | 江苏威凯尔医药科技有限公司 | 2022-08-09 | — | — | CN | disclosed |
| CN-110642838-A | EGFR inhibitor and preparation and application thereof | 江苏威凯尔医药科技有限公司 | 2020-01-03 | — | — | CN | disclosed |