Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.36 |
| ▸ | HTR5A | P47898 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | SNRNP200 | O75643 | 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 | |
|---|---|---|---|---|
| SCHEMBL28354633 | 0.79 | BRD4 (0.49) | AHRALDH1A1GAAMAPTALOX15 | |
| SCHEMBL28358437 | 0.79 | MMP13 (0.47) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28358735 | 0.75 | CMA1 (0.42) | AHRALDH1A1POLBCYP3A4CYP2C9 | |
| SCHEMBL28355136 | 0.75 | AHR (0.42) | AHRALDH1A1POLBCYP3A4CYP2C9 | |
| SCHEMBL28354703 | 0.74 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL13386604 | 0.69 | ALDH1A1 (0.55) | ALDH1A1KCNA5ALOX15 | |
| SCHEMBL3603276 | 0.69 | CHRM4 (0.52) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28355071 | 0.69 | ALDH1A1 (0.41) | ALDH1A1POLBMEN1KMT2AGAA | |
| SCHEMBL28358766 | 0.68 | ALDH1A1 (0.41) | ALDH1A1POLBCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28358486 | 0.68 | ALDH1A1 (0.41) | ALDH1A1GAAHTR5AALOX15SNRNP200 |
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 |