Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.45 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 2/20 | 0.40 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 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 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | UGCG | Q16739 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
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 | 0.83 | ALDH1A1 (0.41) | CDK5CDK5R1ALDH1A1BRD4CREBBP | |
| SCHEMBL28358766 | 0.83 | ALDH1A1 (0.41) | CDK5CDK5R1ALDH1A1BRD4CREBBP | |
| SCHEMBL28358437 | 0.83 | MMP13 (0.47) | CDK5CDK5R1ALDH1A1DRD2DRD4 | |
| SCHEMBL28358839 | 0.80 | ALDH1A1 (0.39) | ALDH1A1BRD4CREBBPDRD2DRD4 | |
| SCHEMBL28354633 | 0.78 | BRD4 (0.49) | CDK5CDK5R1ALDH1A1BRD4CREBBP | |
| SCHEMBL20597216 | 0.75 | CDK5 (0.52) | CDK5CDK5R1ALDH1A1BRD4CREBBP | |
| SCHEMBL30116170 | 0.75 | CDK5 (0.52) | CDK5CDK5R1ALDH1A1BRD4CREBBP | |
| SCHEMBL28358735 | 0.72 | CMA1 (0.42) | ALDH1A1GAAKMT2ASNRNP200 | |
| SCHEMBL28355136 | 0.69 | AHR (0.42) | ALDH1A1BRD4GAAMAPK1KMT2A | |
| SCHEMBL13386604 | 0.69 | ALDH1A1 (0.55) | ALDH1A1 |
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 |