Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | ITK | Q08881 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 7/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ATP4A | P20648 | 3/20 | 0.37 |
| ▸ | ATP4B | P51164 | 3/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1800624 | 0.89 | PDPK1 (0.48) | BTKITKROCK1CYP3A4MEN1 | |
| SCHEMBL8443770 | 0.89 | BTK (0.40) | BTKITKROCK1CYP3A4MEN1 | |
| Bromide SCHEMBL1799619 | 0.89 | PDPK1 (0.47) | BTKITKROCK1CYP3A4MEN1 | |
| SCHEMBL15500884 | 0.86 | AXL (0.54) | BTKITKPDPK1 | |
| SCHEMBL12616725 | 0.79 | BTK (0.39) | BTKITKCDK5CDK5R1PDPK1 | |
| SCHEMBL24090256 | 0.72 | SMN1; SMN2 (0.46) | MEN1KMT2ACDK5CDK5R1ALDH1A1 | |
| SCHEMBL1799923 | 0.71 | DYRK1A (0.50) | ITKROCK1CYP3A4ATP4AATP4B | |
| SCHEMBL13505143 | 0.71 | ROCK1 (0.41) | ROCK1CYP3A4CDK5CDK5R1PDPK1 | |
| SCHEMBL3348998 | 0.71 | CAMKK2 (0.43) | ROCK1CYP3A4CDK5CDK5R1 | |
| SCHEMBL15500860 | 0.69 | AXL (0.54) | BTKITKPDPK1 |
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-1749829-B1 | JNK inhibitors | EISAI R&D MAN CO LTD (JP) | 2010-11-03 | — | — | EP | disclosed |