Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.36 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8722507 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPK1MAOAGABRA1GABRG2 | |
| SCHEMBL2017485 | 0.81 | ALDH1A1 (0.41) | ALDH1A1MAPK1MAOAGABRA1GABRG2 | |
| SCHEMBL29945235 | 0.75 | ALDH1A1 (0.48) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL783254 | 0.75 | ALDH1A1 (0.48) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL23457112 | 0.75 | ALDH1A1 (0.48) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL4876931 | 0.74 | ALDH1A1 (0.46) | ALDH1A1MAPK1RAPGEF4SMN1; SMN2TAAR1 | |
| SCHEMBL2817088 | 0.74 | CYP2A6 (0.43) | ALDH1A1 | |
| SCHEMBL10928549 | 0.73 | ALDH1A1 (0.46) | ALDH1A1MAPK1GABRG2GABRB3GABRA5 | |
| SCHEMBL21263582 | 0.72 | NPC1 (0.45) | ALDH1A1MAPK1MAOAGABRA1GABRG2 | |
| SCHEMBL17937689 | 0.72 | ALDH1A1 (0.44) | ALDH1A1MAPK1SMN1; SMN2TAAR1 |
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-108373416-B | Method for synthesizing diarylamine by photo/nickel concerted catalysis | 陕西师范大学 | 2020-11-17 | — | — | CN | disclosed |