Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.34 |
| ▸ | JAK3 | P52333 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NAMPT | P43490 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | SPR | P35270 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL440848 | 0.79 | CYP2D6 (0.43) | CNR2CNR1MEN1KMT2AJAK3 | |
| SCHEMBL443792 | 0.77 | GRIN2B (0.35) | CNR2CNR1MEN1KMT2AJAK3 | |
| SCHEMBL444540 | 0.75 | GRIN2B (0.38) | CNR2CNR1JAK3SMN1; SMN2KDM1A | |
| SCHEMBL443404 | 0.71 | CTSK (0.35) | JAK3SMN1; SMN2NAMPTSPRUSP2 | |
| SCHEMBL21601781 | 0.70 | GRIN2B (0.41) | CNR2CNR1MEN1KMT2AJAK3 | |
| SCHEMBL447195 | 0.70 | SLC6A4 (0.47) | MEN1KMT2ACYP2D6SLC6A2SLC6A4 | |
| SCHEMBL14665087 | 0.69 | — | — | |
| SCHEMBL444534 | 0.69 | SLC6A3 (0.37) | CYP2D6SLC6A2SLC6A4SLC6A3GRIN2B | |
| SCHEMBL441772 | 0.68 | GRIN2B (0.37) | CNR2CNR1MEN1KMT2AJAK3 | |
| SCHEMBL27092796 | 0.68 | GRIN2B (0.38) | CNR2CNR1MEN1KMT2AJAK3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2354124-A2 | Heteroaryl pyrrolidinyl and piperidinyl ketone derivatives | F. Hoffmann-La Roche AG (CH) | 2011-08-10 | — | — | EP | disclosed |