Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | AR | P10275 | 3/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | S100A4 | P26447 | 1/20 | 0.34 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.33 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.33 |
| ▸ | MAP1LC3A | Q9H492 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | PGR | P06401 | 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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28096813 | 0.92 | LMNA (0.46) | LMNAPOLBHTTL3MBTL1AR | |
| SCHEMBL12062252 | 0.81 | LMNA (0.47) | LMNAPOLBHTTL3MBTL1HDAC4 | |
| Cyanide SCHEMBL28096799 | 0.80 | MAOA (0.46) | L3MBTL1ARMAOAMAOBALDH1A1 | |
| Cyanide SCHEMBL28096608 | 0.80 | MAOA (0.48) | LMNAPOLBHTTL3MBTL1AR | |
| SCHEMBL12062279 | 0.78 | KIF11 (0.50) | LMNAPOLBHTTL3MBTL1HDAC4 | |
| SCHEMBL7058481 | 0.74 | MAOA (0.50) | L3MBTL1ARMAOAMAOBALDH1A1 | |
| SCHEMBL425169 | 0.73 | MAOA (0.45) | LMNAHTTARMAOAMAOB | |
| Methylamine SCHEMBL28096597 | 0.72 | MAOA (0.45) | LMNAPOLBHTTL3MBTL1AR | |
| SCHEMBL21026782 | 0.72 | CNR2 (0.42) | LMNAPOLBHTTL3MBTL1AR | |
| SCHEMBL9091809 | 0.71 | MAOA (0.44) | ARMAOAMAOBS100A4SOAT1 |
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 |