Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 1/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5203581 | 0.81 | GAA (0.54) | CHEK1GAAGRIN2DGRIN3BGRIN1 | |
| SCHEMBL7375633 | 0.76 | CHEK1 (0.50) | CHEK1MMP2MMP13CHEK2GAA | |
| SCHEMBL5733310 | 0.75 | GAA (0.44) | SLC6A2SLC6A4CHEK1CHEK2GAA | |
| SCHEMBL5733400 | 0.74 | ROCK2 (0.41) | SLC6A2SLC6A4SLC6A3CYP2D6F2 | |
| SCHEMBL5734927 | 0.73 | CHEK1 (0.41) | F2CHEK1MMP2MMP13CHEK2 | |
| SCHEMBL5369135 | 0.73 | CHEK1 (0.52) | CHEK1CHEK2OPRK1OPRM1 | |
| SCHEMBL5374691 | 0.73 | GAA (0.47) | CHEK1CHEK2GAAGRIN2DGRIN3B | |
| SCHEMBL5733660 | 0.72 | GAA (0.54) | CHEK2GAAGRIN2DGRIN3BGRIN1 | |
| SCHEMBL5732647 | 0.72 | GAA (0.48) | SLC6A2SLC6A4SLC6A3CHEK1CHEK2 | |
| SCHEMBL5374221 | 0.70 | GAA (0.46) | SLC6A2SLC6A4SLC6A3CHEK1GAA |
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-1080078-B1 | HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS | SCIOS INC (US) | 2006-02-01 | — | — | EP | claimed |