Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIK1 | P39086 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | KDR | P35968 | 4/20 | 0.38 |
| ▸ | TEK | Q02763 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | XBP1 | P17861 | 1/20 | 0.36 |
| ▸ | XPO1 | O14980 | 1/20 | 0.36 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.36 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28084469 | 0.81 | KDR (0.54) | KDRTEKALDH1A1EPHB4 | |
| SCHEMBL4015709 | 0.79 | HDAC1 (0.49) | GRIK1HDAC1HDAC8HDAC6MAPT | |
| SCHEMBL9416738 | 0.76 | MAPT (0.54) | MAPTMEN1KMT2ATEKNPSR1 | |
| SCHEMBL16096500 | 0.71 | TGM2 (0.50) | GRIK1HDAC1HDAC8HDAC6LMNA | |
| SCHEMBL22453144 | 0.71 | MAOA (0.50) | HDAC1HDAC8LMNAMEN1KMT2A | |
| SCHEMBL9416700 | 0.71 | TEK (0.53) | MAPTMEN1KMT2ATEKNPSR1 | |
| SCHEMBL28263498 | 0.71 | FAAH (0.53) | MAPTLMNAMEN1KMT2ASMN1; SMN2 | |
| SCHEMBL28093556 | 0.69 | L3MBTL1 (0.39) | GRIK1HDAC1HDAC8HDAC6MAPT | |
| SCHEMBL27671458 | 0.68 | MAPK1 (0.39) | MAPTMEN1KMT2ATEKSMN1; SMN2 | |
| SCHEMBL15688086 | 0.68 | THRB (0.62) | NPC1RAB9A |
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-105906568-A | Cyclopropane diamide compound with antitumor activity and preparation method and application thereof | 西安交通大学 | 2016-08-31 | — | — | CN | disclosed |