Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 7/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.39 |
| ▸ | PDE5A | O76074 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.34 |
| ▸ | PDE1A | P54750 | 2/20 | 0.34 |
| ▸ | PDE1B | Q01064 | 2/20 | 0.34 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.34 |
| ▸ | PDE1C | Q14123 | 2/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11088652 | 0.77 | CHEK1 (0.49) | CHEK1PDE5ANOTUMPDE1APDE1B | |
| SCHEMBL18655890 | 0.75 | CHEK1 (0.34) | CHEK1PDE5APDE1APDE1BPDE3B | |
| SCHEMBL18664219 | 0.75 | CHEK1 (0.35) | CHEK1 | |
| SCHEMBL18632532 | 0.73 | CHEK1 (0.43) | CHEK1PDE5APDE1APDE1BPDE3B | |
| SCHEMBL13114979 | 0.73 | CHEK1 (0.43) | CHEK1PDE5ANOTUMPDE1APDE1B | |
| SCHEMBL17403218 | 0.72 | CHEK1 (0.42) | CHEK1PDE5ANOTUMPDE1APDE1B | |
| SCHEMBL15886714 | 0.72 | CHEK1 (0.42) | CHEK1PDE5AHSP90AA1NOTUMPDE1A | |
| SCHEMBL18632524 | 0.69 | PDE3B (0.47) | CHEK1PDE5ANOTUMPDE1APDE1B | |
| SCHEMBL20996080 | 0.69 | CHEK1 (0.39) | CHEK1PDE5ANOTUMPDE1APDE1B | |
| SCHEMBL19584030 | 0.68 | CHEK1 (0.38) | CHEK1POLB |
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 |
|---|---|---|---|---|---|---|---|
| US-9827244-B2 | Cap/endo dual inhibitors and their use in the treatment, amelioration or prevention of a viral disease | F. HOFFMANN-LA ROCHE AG (CH) | 2017-11-28 | — | — | US | disclosed |