Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 2/20 | 0.40 |
| ▸ | IDH1 | O75874 | 12/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 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 | |
|---|---|---|---|---|
| SCHEMBL28354633 | 0.79 | BRD4 (0.49) | ALDH1A1 | |
| SCHEMBL28358561 | 0.74 | AHR (0.43) | ALDH1A1 | |
| SCHEMBL28354704 | 0.71 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL28055505 | 0.71 | HTR1A (0.41) | ALDH1A1 | |
| SCHEMBL28355136 | 0.70 | AHR (0.42) | ALDH1A1 | |
| SCHEMBL28358735 | 0.70 | CMA1 (0.42) | ALDH1A1 | |
| SCHEMBL28358498 | 0.70 | ALDH1A1 (0.42) | ALDH1A1 | |
| SCHEMBL13386604 | 0.69 | ALDH1A1 (0.55) | ALDH1A1 | |
| SCHEMBL13947066 | 0.69 | IDH1 (0.42) | IDH1 | |
| SCHEMBL2606233 | 0.69 | BRD4 (0.54) | ALDH1A1IDH1HTT |
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 |