Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 5/20 | 0.35 |
| ▸ | NAMPT | P43490 | 2/20 | 0.35 |
| ▸ | AKT1 | P31749 | 2/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 4/20 | 0.34 |
| ▸ | LIPE | Q05469 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
| ▸ | RELA | Q04206 | 1/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | NR1I3 | Q14994 | 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 | |
|---|---|---|---|---|
| SCHEMBL1925782 | 0.73 | MALT1 (0.41) | AKT1 | |
| SCHEMBL30735489 | 0.70 | KLK5 (0.40) | NAMPTHDAC3 | |
| SCHEMBL28256263 | 0.70 | KLK5 (0.40) | NAMPTHDAC3 | |
| SCHEMBL323681 | 0.69 | MAPK1 (0.45) | NAMPTHDAC3 | |
| SCHEMBL3411043 | 0.68 | HDAC3 (0.40) | NAMPTEPHX2DRD2LIPEHDAC3 | |
| SCHEMBL31607473 | 0.67 | HDAC3 (0.35) | HDAC3 | |
| SCHEMBL14111835 | 0.67 | HDAC3 (0.35) | HDAC3 | |
| SCHEMBL28668564 | 0.64 | NAMPT (0.51) | NAMPT | |
| SCHEMBL18212438 | 0.64 | NAMPT (0.51) | NAMPT | |
| SCHEMBL29758946 | 0.64 | NAMPT (0.51) | NAMPT |
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-108925135-A | Synthetic method for preparing (S) - (2R,3R,11bR) -3-isobutyl-9, 10-dimethoxy-2, 3,4,6,7,11 b-hexahydro-1H-pyrido [2,1-a ] isoquinolin-2-yl-2-amino-3-methylbutyrate bis (4-methylbenzenesulfonate) | 纽罗克里生物科学有限公司 | 2018-11-30 | — | — | CN | disclosed |