Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.43 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.43 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.43 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.43 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.43 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.43 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL3832008 | 0.94 | TDP1 (0.46) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL27783200 | 0.88 | PKM (0.50) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL6112750 | 0.84 | MAPT (0.47) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL6815706 | 0.84 | POLB (0.49) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL15486469 | 0.83 | TDP1 (0.45) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL3654416 | 0.83 | LMNA (0.52) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL11555366 | 0.81 | HTT (0.55) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL6375580 | 0.81 | HTT (0.55) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL4639621 | 0.81 | MAPT (0.47) | ALDH1A1TDP1KDM4EPOLBLMNA | |
| SCHEMBL3829979 | 0.81 | PKM (0.54) | ALDH1A1TDP1KDM4EPOLBLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112707845-B | Preparation method of dacatinib intermediate | 成都伊诺达博医药科技有限公司 | 2023-04-28 | — | — | CN | disclosed |
| CN-112707846-B | Preparation method of dacatinib key intermediate | 成都伊诺达博医药科技有限公司 | 2023-04-21 | — | — | CN | disclosed |
| CN-112707846-A | Preparation method of dacomitinib key intermediate | 成都伊诺达博医药科技有限公司 | 2021-04-27 | — | — | CN | disclosed |
| CN-112707845-A | Preparation method of dacomitinib intermediate | 成都伊诺达博医药科技有限公司 | 2021-04-27 | — | — | CN | disclosed |