Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL28355071 | 0.84 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL28354704 | 0.84 | ALDH1A1 (0.41) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL28354824 | 0.82 | ALDH1A1 (0.42) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL28358490 | 0.81 | ALDH1A1 (0.45) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL28358641 | 0.81 | ALDH1A1 (0.38) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL28355212 | 0.80 | ADRA2A (0.43) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL28883591 | 0.78 | CES1 (0.40) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL13386604 | 0.73 | ALDH1A1 (0.55) | ALDH1A1TSHRKCNA5ALOX15 | |
| SCHEMBL28354785 | 0.72 | L3MBTL1 (0.41) | ALDH1A1NPC1RAB9AL3MBTL1POLB | |
| SCHEMBL28354633 | 0.72 | BRD4 (0.49) | ALDH1A1NPC1RAB9ATSHRGAA |
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 |