Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.32 |
| ▸ | SCD | O00767 | 1/20 | 0.32 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.32 |
| ▸ | ABL1 | P00519 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 3/20 | 0.31 |
| ▸ | LYN | P07948 | 3/20 | 0.31 |
| ▸ | SRC | P12931 | 3/20 | 0.31 |
| ▸ | BTK | Q06187 | 2/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | FYN | P06241 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20632386 | 1.00 | ITK (0.34) | ITKROCK2ROCK1CDC42BPBCNR1 | |
| SCHEMBL20633001 | 1.00 | ITK (0.34) | ITKROCK2ROCK1CDC42BPBCNR1 | |
| SCHEMBL17618620 | 0.91 | CNR1 (0.36) | ITKROCK2ROCK1CDC42BPBCNR1 | |
| SCHEMBL17618533 | 0.91 | CNR1 (0.36) | ITKROCK2ROCK1CDC42BPBCNR1 | |
| SCHEMBL19365286 | 0.91 | CNR1 (0.36) | ITKROCK2ROCK1CDC42BPBCNR1 | |
| SCHEMBL20633225 | 0.89 | BTK (0.34) | CNR1SMN1; SMN2MAP4K1TRPV3ABL1 | |
| SCHEMBL20633151 | 0.86 | LRRK2 (0.39) | MAP4K1LRRK2 | |
| SCHEMBL19670363 | 0.84 | ROCK2 (0.37) | ROCK2ROCK1CDC42BPBDEGS1SCD | |
| SCHEMBL20633174 | 0.81 | SMN1; SMN2 (0.38) | CNR1SMN1; SMN2MAP4K1FYN | |
| SCHEMBL20631535 | 0.80 | CNR1 (0.38) | CNR1SMN1; SMN2MAP4K1HCRTR2 |
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-2997029-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2019-01-09 | — | — | EP | disclosed |