Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BUB1 | O43683 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | SPR | P35270 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1401215 | 0.95 | BUB1 (0.37) | BUB1JAK3CHRM2CHRM1CHRM3 | |
| SCHEMBL3373925 | 0.84 | USP2 (0.45) | BUB1CHRM2CHRM1CHRM3USP2 | |
| SCHEMBL426520 | 0.83 | BUB1 (0.34) | BUB1CHRM2CHRM1CHRM3HPGD | |
| SCHEMBL33525787 | 0.81 | CHRM2 (0.35) | BUB1JAK3CHRM2CHRM1CHRM3 | |
| SCHEMBL13752303 | 0.77 | — | — | |
| SCHEMBL20456344 | 0.77 | CHRM2 (0.37) | BUB1CHRM2CHRM1CHRM3CTSK | |
| SCHEMBL1435794 | 0.76 | BUB1 (0.42) | BUB1CHRM2CHRM1CHRM3CTSK | |
| SCHEMBL31266454 | 0.75 | CTSK (0.35) | BUB1JAK3CHRM2CHRM1CHRM3 | |
| SCHEMBL6921819 | 0.74 | CHRM2 (0.35) | BUB1CHRM2CHRM1CHRM3CTSK | |
| SCHEMBL9916055 | 0.74 | RIPK1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012000608-A2 | NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES | GLUESENKAMP KARL-HEINZ (DE) | 2012-01-05 | — | — | WO | disclosed |