Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | METAP2 | P50579 | 1/20 | 0.52 |
| ▸ | G6PD | P11413 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28582077 | 1.00 | MAPT (0.55) | MAPTLMNAMETAP2G6PDHSD11B1 | |
| SCHEMBL28604399 | 0.85 | KDM4E (0.56) | ALDH1A1TP53KMT2AMEN1KDM4E | |
| SCHEMBL2586137 | 0.84 | ESRRA (0.47) | MAPTLMNAMETAP2KMT2AMEN1 | |
| SCHEMBL4888172 | 0.84 | KDM4E (0.47) | ALDH1A1KDM4ERXFP1 | |
| SCHEMBL6185728 | 0.82 | METAP2 (0.49) | MAPTLMNAMETAP2G6PDALDH1A1 | |
| SCHEMBL29809422 | 0.82 | METAP2 (0.49) | MAPTLMNAMETAP2G6PDALDH1A1 | |
| SCHEMBL28593371 | 0.82 | KDM4E (0.47) | MAPTALDH1A1TP53KMT2AMEN1 | |
| SCHEMBL29431541 | 0.81 | KDM4E (0.47) | MAPTLMNAMETAP2G6PDALDH1A1 | |
| SCHEMBL2593323 | 0.81 | KDM4E (0.47) | MAPTLMNAMETAP2G6PDALDH1A1 | |
| SCHEMBL28565276 | 0.80 | MAPT (0.41) | MAPTLMNAMETAP2ALDH1A1TP53 |
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-112876413-B | Preparation and antiviral activity of 2- (isoquinoline-1 (2H) -ketone-4-yl) difluoro acetyl derivative | 南开大学 | 2022-10-28 | — | — | CN | disclosed |