Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | ACACB | O00763 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PDE4A | P27815 | 1/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23310509 | 0.87 | KMT2A (0.58) | KMT2AMEN1ACACBMAPK1ALDH1A1 | |
| SCHEMBL28159795 | 0.85 | ADRA1D (0.49) | KMT2AMEN1ALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL28846848 | 0.83 | ACACB (0.51) | KMT2AMEN1KDM4EACACBPDE4B | |
| SCHEMBL28159814 | 0.82 | KMT2A (0.47) | KMT2AMEN1ACACBMAPK1ALDH1A1 | |
| SCHEMBL3788597 | 0.80 | HTT (0.56) | KMT2AMEN1KDM4EACACBALDH1A1 | |
| SCHEMBL27940049 | 0.79 | ACACB (0.48) | KMT2AMEN1KDM4EACACBMAPK1 | |
| SCHEMBL27952072 | 0.79 | GAA (0.50) | KMT2AMEN1GAAACACBMAPK1 | |
| SCHEMBL27952027 | 0.79 | MAOB (0.53) | KMT2AMEN1GAAACACBALDH1A1 | |
| SCHEMBL6166995 | 0.77 | KMT2A (0.50) | KMT2AMEN1GAAACACBMAPK1 | |
| SCHEMBL31167233 | 0.77 | KMT2A (0.50) | KMT2AMEN1ACACBMAPK1L3MBTL1 |
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-103626713-B | Ketone (thioketones) the class compound of nitrogen (oxygen) heterocycle pentane 2, its pharmaceutical composition, preparation method and purposes | 中国科学院上海药物研究所 | 2017-07-04 | — | — | CN | disclosed |