Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 9/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.42 |
| ▸ | MAP3K7 | O43318 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 3/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2932338 | 0.89 | CHEK1 (0.55) | CHEK1MAP3K7IKBKBACHE | |
| SCHEMBL2930060 | 0.87 | CHEK1 (0.70) | CHEK1MAP3K7MAPTIKBKBALDH1A1 | |
| SCHEMBL1927365 | 0.86 | CHEK1 (0.73) | CHEK1CYP2D6MAPTIKBKB | |
| SCHEMBL2933445 | 0.86 | CHEK1 (0.72) | CHEK1CYP2D6MAP3K7MAPTIKBKB | |
| SCHEMBL2933338 | 0.85 | CHEK1 (0.52) | CHEK1MAP3K7IKBKB | |
| SCHEMBL2926946 | 0.83 | KDM4E (0.53) | CHEK1MAPTALDH1A1POLB | |
| SCHEMBL2932566 | 0.83 | CHEK1 (0.57) | CHEK1CYP2D6MAP3K7IKBKBALDH1A1 | |
| SCHEMBL2931062 | 0.81 | CHEK1 (0.59) | CHEK1MAP3K7IKBKBALDH1A1 | |
| SCHEMBL2933039 | 0.80 | CHEK1 (0.73) | CHEK1MAP3K7IKBKB | |
| SCHEMBL6646218 | 0.80 | CYP2D6 (0.56) | CHEK1CYP2D6ACKR3MAP3K7MAPT |
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-1421074-B1 | NOVEL COMPOUNDS | ASTRAZENECA AB (SE) | 2010-09-29 | — | — | EP | claimed |