Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL28554150 | 0.83 | ALDH1A1 (0.41) | MAPTLMNAKMT2AALDH1A1NPC1 | |
| SCHEMBL28929918 | 0.81 | MAPT (0.51) | MAPTMAOBMAOA | |
| SCHEMBL28557484 | 0.80 | NPC1 (0.44) | MAPTLMNAKMT2AALDH1A1KDM4E | |
| SCHEMBL30034874 | 0.80 | MAPT (0.55) | MAPTLMNAKMT2AALDH1A1KDM4E | |
| SCHEMBL28582077 | 0.80 | MAPT (0.55) | MAPTLMNAKMT2AALDH1A1KDM4E | |
| SCHEMBL28559877 | 0.77 | PTK2 (0.49) | MAPTKMT2AALDH1A1KDM4EMEN1 | |
| SCHEMBL28558882 | 0.77 | MAPT (0.41) | MAPTLMNAKMT2AALDH1A1KDM4E | |
| SCHEMBL28557365 | 0.76 | GAA (0.51) | MAPTLMNAKMT2AALDH1A1KDM4E | |
| SCHEMBL29962872 | 0.76 | GAA (0.51) | MAPTLMNAKMT2AALDH1A1KDM4E | |
| SCHEMBL20689381 | 0.76 | TYK2 (0.40) | MAPTKMT2AALDH1A1MEN1NPC1 |
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-109942542-B | Preparation method of 3- (1, 3-diene-2-yl) isoquinoline-1 (2H) -ketone compound | 南开大学 | 2021-05-07 | — | — | CN | disclosed |