Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | CDC42BPB | Q9Y5S2 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | PORCN | Q9H237 | 2/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 4/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 4/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | DEGS1 | O15121 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 2/20 | 0.34 |
| ▸ | AKT1 | P31749 | 2/20 | 0.33 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.32 |
| ▸ | DGAT2 | Q96PD7 | 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 | |
|---|---|---|---|---|
| SCHEMBL19670495 | 0.90 | ROCK2 (0.39) | ROCK2ROCK1CDC42BPBCYP3A4PORCN | |
| SCHEMBL17618653 | 0.90 | CYP3A4 (0.40) | ROCK2ROCK1CDC42BPBCYP3A4PORCN | |
| SCHEMBL20633151 | 0.84 | LRRK2 (0.39) | JAK2 | |
| SCHEMBL20632386 | 0.84 | ITK (0.34) | ROCK2ROCK1CDC42BPBABL1DEGS1 | |
| SCHEMBL20633001 | 0.84 | ITK (0.34) | ROCK2ROCK1CDC42BPBABL1DEGS1 | |
| SCHEMBL20631815 | 0.84 | ITK (0.34) | ROCK2ROCK1CDC42BPBABL1DEGS1 | |
| SCHEMBL17618628 | 0.83 | CYP3A4 (0.37) | CYP3A4PORCNJAK2NTRK1CYP2D6 | |
| SCHEMBL17618686 | 0.81 | GSK3B (0.37) | ROCK2ROCK1CDC42BPBCYP3A4PORCN | |
| SCHEMBL20632281 | 0.80 | CHRM4 (0.35) | ROCK2ROCK1CDC42BPBCYP3A4PORCN | |
| SCHEMBL20632299 | 0.80 | GSK3B (0.35) | ROCK2ROCK1CDC42BPBCYP3A4PORCN |
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-2997029-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2019-01-09 | — | — | EP | disclosed |
| US-9834558-B2 | Substituted bridged urea analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-12-05 | — | — | US | disclosed |