Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 6/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 7/20 | 0.35 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.32 |
| ▸ | CRHBP | P24387 | 1/20 | 0.32 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.32 |
| ▸ | RAF1 | P04049 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL950799 | 0.86 | RPS6KA2 (0.40) | ROCK1ROCK2KDRBCHEACHE | |
| SCHEMBL947957 | 0.80 | RPS6KA2 (0.46) | RPS6KA2ITK | |
| SCHEMBL13770065 | 0.80 | RPS6KA2 (0.37) | ROCK1ROCK2KDRBCHEACHE | |
| SCHEMBL13770383 | 0.78 | RPS6KA2 (0.38) | KDRRPS6KA2ITKMEN1KMT2A | |
| SCHEMBL951873 | 0.78 | KMT2A (0.44) | RPS6KA2ITKMEN1KMT2A | |
| SCHEMBL950898 | 0.77 | KLKB1 (0.45) | RPS6KA2ITKMEN1KMT2A | |
| SCHEMBL948091 | 0.77 | ALDH1A1 (0.41) | ROCK2RPS6KA2MEN1KMT2A | |
| SCHEMBL13770152 | 0.77 | CHEK1 (0.42) | RPS6KA2MEN1KMT2ACHEK1CRHBP | |
| SCHEMBL13769992 | 0.77 | ITK (0.35) | ROCK1ROCK2KDRRPS6KA2ITK | |
| SCHEMBL13770022 | 0.76 | CHEK1 (0.36) | RPS6KA2ITKCHEK1 |
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-2009093012-A1 | INDOLYL- PYRIDONE DERIVATIVES HAVING CHECKPOINT KINASE 1 INHIBITORY ACTIVITY | VERNALIS (R & D) LTD (GB) | 2009-07-30 | — | — | WO | disclosed |