Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.43 |
| ▸ | CCR2 | P41597 | 4/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.43 |
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KIT | P10721 | 2/20 | 0.40 |
| ▸ | FLT3 | P36888 | 2/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.40 |
| ▸ | BACE1 | P56817 | 1/20 | 0.40 |
| ▸ | PDE5A | O76074 | 1/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12780385 | 1.00 | CXCR4 (0.45) | CXCR4HRH3ROCK2CCR2ROCK1 | |
| SCHEMBL12779910 | 0.95 | HRH3 (0.51) | HRH3ROCK2CCR2ROCK1ACHE | |
| SCHEMBL12779937 | 0.82 | MEN1 (0.44) | KITFLT3AURKAIRAK4AXL | |
| SCHEMBL12779942 | 0.82 | KIT (0.59) | HRH3ACHEKITFLT3AURKA | |
| SCHEMBL4040144 | 0.81 | HRH3 (0.48) | HRH3ROCK2CCR2ROCK1ACHE | |
| SCHEMBL12779911 | 0.78 | NOS2 (0.52) | MAPK1KITFLT3AURKAIRAK4 | |
| SCHEMBL12779811 | 0.77 | FLT3 (0.50) | KITFLT3AURKAIRAK4AXL | |
| SCHEMBL12780020 | 0.77 | KIT (0.52) | MAPK1KITFLT3AURKAIRAK4 | |
| SCHEMBL1776541 | 0.75 | ACHE (0.54) | CXCR4HRH3ROCK2CCR2ROCK1 | |
| SCHEMBL1774196 | 0.75 | ACHE (0.54) | CXCR4HRH3ROCK2CCR2ROCK1 |
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-1066286-B1 | HETEROCYCLO-SUBSTITUTED IMIDAZOPYRAZINE PROTEIN TYROSINE KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2009-04-29 | — | — | EP | claimed |
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |