Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 7/20 | 0.47 |
| ▸ | CA12 | O43570 | 5/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 6/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.37 |
| ▸ | WNT3A | P56704 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28151739 | 0.86 | ENPP3 (0.43) | CA2CA12DYRK1ACDK9CTNNB1 | |
| SCHEMBL28031961 | 0.83 | DYRK1A (0.41) | CA2CA12DYRK1ACDK9MAOA | |
| SCHEMBL28031959 | 0.83 | CA2 (0.42) | CA2CA12DYRK1ACDK9MAOA | |
| SCHEMBL15504108 | 0.80 | DYRK1A (0.65) | CA2CA12DYRK1ACDK9CTNNB1 | |
| SCHEMBL28822331 | 0.80 | DYRK1A (0.41) | CA2CA12DYRK1ACDK9MAOA | |
| SCHEMBL28031957 | 0.78 | CTSD (0.44) | CA12ESR1ESR2KDM4EALDH1A1 | |
| SCHEMBL21500400 | 0.77 | CA2 (0.49) | CA2CA12DYRK1ACDK9CTNNB1 | |
| SCHEMBL28031348 | 0.76 | ERN1 (0.48) | DYRK1ACDK9MAOAMAOBNFKB1 | |
| SCHEMBL20457628 | 0.76 | CYP1A2 (0.50) | ESR1ESR2MAOBKDM4EALDH1A1 | |
| SCHEMBL13561835 | 0.75 | CYP2A6 (0.42) | CA2CA12CTNNB1WNT3AMAOA |
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 |