Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | AURKA | O14965 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28296101 | 0.86 | ADORA3 (0.35) | HPGDGAAADORA3 | |
| SCHEMBL5561908 | 0.74 | KDM4E (0.49) | ALDH1A1HTTHPGDSMN1; SMN2KDM4E | |
| SCHEMBL19815385 | 0.74 | NOTUM (0.44) | NOTUMPARP1ALDH1A1HTTHPGD | |
| SCHEMBL2292418 | 0.72 | ALDH1A1 (0.49) | ALDH1A1HTTHPGDTSHRPABPC1 | |
| SCHEMBL4233553 | 0.71 | PABPC1 (0.50) | ALDH1A1HPGDTSHRPABPC1MAPT | |
| SCHEMBL23396897 | 0.69 | KDM4E (0.49) | NOTUMPARP1ALDH1A1HTTHPGD | |
| SCHEMBL2333643 | 0.69 | BACE1 (0.52) | NOTUMPARP1ALDH1A1HTTHPGD | |
| SCHEMBL21223867 | 0.69 | NOTUM (0.47) | NOTUMPARP1ALDH1A1HTTHPGD | |
| SCHEMBL19815616 | 0.69 | NOTUM (0.47) | NOTUMPARP1ALDH1A1HTTHPGD | |
| SCHEMBL5556155 | 0.69 | MCL1 (0.56) | NOTUMPARP1ALDH1A1HTTHPGD |
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-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | claimed |
| CN-109790146-A | Medical compounds | 阿尔麦克探索有限公司 | 2019-05-21 | — | — | CN | disclosed |