Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.34 |
| ▸ | RXRA | P19793 | 1/20 | 0.34 |
| ▸ | RXRB | P28702 | 1/20 | 0.34 |
| ▸ | RXRG | P48443 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 2/20 | 0.33 |
| ▸ | DRD4 | P21917 | 2/20 | 0.33 |
| ▸ | DRD3 | P35462 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28358486 | 0.84 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL28358437 | 0.81 | MMP13 (0.47) | ALDH1A1SMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL28358766 | 0.81 | ALDH1A1 (0.41) | ALDH1A1SMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL28882918 | 0.80 | CDK5 (0.45) | ALDH1A1SMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL28354633 | 0.76 | BRD4 (0.49) | ALDH1A1SMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL28358735 | 0.70 | CMA1 (0.42) | ALDH1A1GAAL3MBTL1SNRNP200 | |
| SCHEMBL2878324 | 0.69 | HTR2C (0.41) | MAPK1 | |
| SCHEMBL28355136 | 0.68 | AHR (0.42) | ALDH1A1GAAMAPK1L3MBTL1SNRNP200 | |
| SCHEMBL13386604 | 0.67 | ALDH1A1 (0.55) | ALDH1A1 | |
| SCHEMBL28358561 | 0.66 | AHR (0.43) | ALDH1A1GAAL3MBTL1SNRNP200 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106749045-B | D-amino acid oxidase inhibitor and preparation method and application thereof | 上海交通大学 | 2020-02-14 | — | — | CN | disclosed |