Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.35 |
| ▸ | DRD4 | P21917 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| SCHEMBL28358486 | 0.84 | ALDH1A1 (0.41) | ALDH1A1CDK5CDK5R1SMN1; SMN2NPC1 | |
| SCHEMBL28358437 | 0.84 | MMP13 (0.47) | ALDH1A1CDK5CDK5R1SMN1; SMN2NPC1 | |
| SCHEMBL28882918 | 0.83 | CDK5 (0.45) | ALDH1A1CDK5CDK5R1SMN1; SMN2NPC1 | |
| SCHEMBL28358839 | 0.81 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2NPC1GAAMAPK1 | |
| SCHEMBL28354633 | 0.79 | BRD4 (0.49) | ALDH1A1CDK5CDK5R1SMN1; SMN2NPC1 | |
| SCHEMBL28358735 | 0.73 | CMA1 (0.42) | ALDH1A1GAAPOLBCYP3A4CYP2C9 | |
| SCHEMBL4613887 | 0.70 | BRD4 (0.56) | CDK5CDK5R1CRBNACEMMP13 | |
| SCHEMBL29704455 | 0.70 | BRD4 (0.56) | CDK5CDK5R1CRBNACEMMP13 | |
| SCHEMBL28355136 | 0.70 | AHR (0.42) | ALDH1A1GAAMAPK1POLBCYP3A4 | |
| SCHEMBL13386604 | 0.69 | ALDH1A1 (0.55) | ALDH1A1ALOX15TSHR |
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 |