Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 7/20 | 0.42 |
| ▸ | WEE1 | P30291 | 6/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.41 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | GSK3A | P49840 | 2/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.40 |
| ▸ | TOP1 | P11387 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL2564831 | 0.81 | CHEK1 (0.47) | CHEK1WEE1PARP1CDK5CDK5R1 | |
| SCHEMBL2550354 | 0.79 | CHEK1 (0.45) | CHEK1WEE1PARP1CDK5CDK5R1 | |
| SCHEMBL2552481 | 0.79 | CHEK1 (0.45) | CHEK1WEE1PARP1CDK5CDK5R1 | |
| SCHEMBL2552525 | 0.79 | CHEK1 (0.48) | CHEK1WEE1PARP1CDK5CDK5R1 | |
| Hydrochloric Acid SCHEMBL15092457 | 0.79 | CHEK1 (0.45) | CHEK1WEE1PARP1CDK5CDK5R1 | |
| Hydrochloric Acid SCHEMBL2550135 | 0.77 | CHEK1 (0.47) | CHEK1WEE1PARP1CDK5CDK5R1 | |
| SCHEMBL2551422 | 0.76 | WEE1 (0.51) | CHEK1WEE1CDK5CDK5R1DYRK1A | |
| SCHEMBL2574942 | 0.74 | WEE1 (0.53) | CHEK1WEE1MEN1POLBGAA | |
| SCHEMBL2549922 | 0.73 | MAP2K7 (0.47) | CHEK1WEE1PARP1CDK5CDK5R1 | |
| SCHEMBL2546633 | 0.72 | NR1I2 (0.49) | CHEK1WEE1CDK5CDK5R1DYRK1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2552206-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | OncoTherapy Science, Inc. (JP) | 2013-02-06 | — | — | EP | disclosed |
| WO-2011123419-A1 | TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME | ONCOTHERAPY SCIENCE, INC. (JP) | 2011-10-06 | — | — | WO | disclosed |