Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | CDC42BPB | Q9Y5S2 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.35 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
| ▸ | CCR1 | P32246 | 1/20 | 0.32 |
| ▸ | CCR5 | P51681 | 1/20 | 0.32 |
| ▸ | CCR8 | P51685 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | CCNK | O75909 | 1/20 | 0.30 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2600508 | 0.82 | ROCK2 (0.39) | ROCK2ROCK1CDC42BPBTRPA1CDC42BPA | |
| SCHEMBL20758322 | 0.81 | CHEK1 (0.51) | CHEK1MAPK1BRD4ROCK2ROCK1 | |
| SCHEMBL20396265 | 0.81 | MAPK1 (0.46) | CHEK1MAPK1BRD4ROCK2TRPA1 | |
| SCHEMBL9923353 | 0.78 | CHEK1 (0.40) | CHEK1MAPK1BRD4ROCK2ROCK1 | |
| SCHEMBL26176313 | 0.73 | CHEK1 (0.46) | CHEK1ROCK2ROCK1CDC42BPBTRPA1 | |
| SCHEMBL16061368 | 0.71 | BRD4 (0.57) | MAPK1BRD4ROCK1CDC42BPB | |
| SCHEMBL2537071 | 0.71 | CHEK1 (0.61) | CHEK1MAPK1BRD4ROCK2ROCK1 | |
| SCHEMBL22912722 | 0.69 | CHEK1 (0.66) | CHEK1MAPK1BRD4ROCK2ROCK1 | |
| SCHEMBL31499101 | 0.69 | CHEK1 (0.55) | CHEK1MAPK1BRD4TRPA1AXL | |
| SCHEMBL2112040 | 0.67 | MAPK1 (0.42) | CHEK1MAPK1BRD4TRPA1 |
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-2019034890-A1 | PYRROLO[2,3-B]PYRIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CANCER | CANCER RESEARCH TECHNOLOGY LIMITED (GB) | 2019-02-21 | — | — | WO | disclosed |