Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 5/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 6/20 | 0.35 |
| ▸ | CA12 | O43570 | 4/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA7 | P36544 | 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 | |
|---|---|---|---|---|
| SCHEMBL28031963 | 0.80 | CA2 (0.47) | DYRK1ACDK9CA2CA12NFKB1 | |
| SCHEMBL28031961 | 0.76 | DYRK1A (0.41) | DYRK1ACDK9CA2CA12NFKB1 | |
| SCHEMBL28031959 | 0.76 | CA2 (0.42) | DYRK1ACDK9CA2CA12NFKB1 | |
| SCHEMBL28151739 | 0.73 | ENPP3 (0.43) | DYRK1ACDK9CA2CA12MAOA | |
| SCHEMBL28031348 | 0.73 | ERN1 (0.48) | DYRK1ACDK9CYP2A6NFKB1MAOA | |
| SCHEMBL28822306 | 0.72 | BACE1 (0.44) | CYP2A6 | |
| SCHEMBL17086905 | 0.70 | MAOA (0.48) | DYRK1ACDK9CYP2A6NFKB1MAOA | |
| SCHEMBL28031957 | 0.69 | CTSD (0.44) | PGRCA12 | |
| SCHEMBL8133413 | 0.68 | FTO (0.50) | CDK9CYP2A6CA12NFKB1MAOA | |
| SCHEMBL30819828 | 0.68 | FTO (0.50) | CDK9CYP2A6CA12NFKB1MAOA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105061372-B | A kind of synthetic method of aphthofurans class compound | 湖南大学 | 2017-06-20 | — | — | CN | disclosed |
| CN-105061372-A | Synthetic methods of naphthopyran compounds | UNIV HUNAN | 2015-11-18 | — | — | CN | disclosed |