Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | AR | P10275 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | S100A4 | P26447 | 1/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAP1LC3B | Q9GZQ8 | 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 | |
|---|---|---|---|---|
| Cyanide SCHEMBL28096850 | 0.92 | LMNA (0.45) | LMNAPOLBHTTL3MBTL1MAOA | |
| SCHEMBL12062252 | 0.85 | LMNA (0.47) | LMNAPOLBHTTL3MBTL1KIF11 | |
| SCHEMBL12062279 | 0.83 | KIF11 (0.50) | LMNAPOLBHTTL3MBTL1KIF11 | |
| Methylamine SCHEMBL28096597 | 0.79 | MAOA (0.45) | LMNAPOLBHTTL3MBTL1MAOA | |
| SCHEMBL424970 | 0.76 | TSHR (0.49) | POLBHTTMAOAMAOBAR | |
| SCHEMBL7058481 | 0.75 | MAOA (0.50) | L3MBTL1MAOAMAOBARXDH | |
| SCHEMBL425169 | 0.74 | MAOA (0.45) | LMNAHTTMAOAMAOBAR | |
| SCHEMBL21026782 | 0.73 | CNR2 (0.42) | LMNAPOLBHTTL3MBTL1MAOA | |
| SCHEMBL1710914 | 0.73 | MAOA (0.53) | HTTL3MBTL1MAOAMAOBAR | |
| SCHEMBL9323120 | 0.73 | MAP1LC3B (0.46) | LMNAMAOAMAOBARACHE |
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-105906564-B | Compound, preparation method and its usage | 海南省药物研究所 | 2018-11-30 | — | — | CN | disclosed |
| CN-105906564-A | Compound and preparation method and use thereof | 海南省药物研究所 | 2016-08-31 | — | — | CN | disclosed |