Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.34 |
| ▸ | SIRT6 | Q8N6T7 | 2/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.34 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | SCN1A | P35498 | 1/20 | 0.32 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.32 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL21753191 | 0.84 | MAPT (0.40) | ALDH1A1MAPTLMNACA12CA1 | |
| SCHEMBL28569818 | 0.81 | CA12 (0.40) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL21753071 | 0.81 | MAPT (0.37) | ALDH1A1MAPTLMNACA12CA1 | |
| SCHEMBL28947519 | 0.70 | KCNJ1 (0.46) | ALDH1A1MAPTHPGD | |
| SCHEMBL27807066 | 0.70 | ALDH1A1 (0.40) | ALDH1A1MAPTLMNASIRT6POLB | |
| SCHEMBL27807000 | 0.69 | ALDH1A1 (0.44) | ALDH1A1LMNAGPR119L3MBTL1SIGMAR1 | |
| SCHEMBL27648888 | 0.68 | KMT2A (0.43) | ALDH1A1MAPTLMNAPOLBSCN1A | |
| SCHEMBL28576696 | 0.67 | GPR119 (0.38) | ALDH1A1MAPTLMNACA12CA1 | |
| SCHEMBL22692234 | 0.67 | GPR119 (0.42) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL8159908 | 0.67 | MAPT (0.51) | ALDH1A1MAPTLMNACA12CA1 |
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-112939897-A | Preparation method and application of broad-spectrum anti-cancer drug enrotinib intermediate | 上海珈睿医药科技有限公司 | 2021-06-11 | — | — | CN | claimed |
| CN-112939897-A | Preparation method and application of broad-spectrum anti-cancer drug enrotinib intermediate | 上海珈睿医药科技有限公司 | 2021-06-11 | — | — | CN | disclosed |
| CN-112939897-A | Preparation method and application of broad-spectrum anti-cancer drug enrotinib intermediate | 上海珈睿医药科技有限公司 | 2021-06-11 | — | — | CN | disclosed |