Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RHOA | P61586 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.38 |
| ▸ | IDH2 | P48735 | 9/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CCR3 | P51677 | 1/20 | 0.33 |
| ▸ | MTOR | P42345 | 1/20 | 0.33 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | CASR | P41180 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | AKT1 | P31749 | 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 | |
|---|---|---|---|---|
| SCHEMBL19706122 | 0.89 | IDH2 (0.46) | IDH2 | |
| SCHEMBL19706076 | 0.87 | IDH2 (0.39) | IDH2RPS6KB1AKT1 | |
| SCHEMBL16250011 | 0.84 | RHOA (0.48) | RHOAIDH2CCR3BRAFCASR | |
| SCHEMBL16249983 | 0.84 | RHOA (0.48) | RHOAIDH2CCR3BRAFCASR | |
| SCHEMBL16238182 | 0.84 | RHOA (0.45) | RHOAIDH2CCR3BRAFCASR | |
| SCHEMBL19865069 | 0.84 | RHOA (0.48) | RHOAIDH2CCR3BRAFCASR | |
| SCHEMBL19365673 | 0.81 | RHOA (0.39) | RHOAPRKCQIDH2CNR2RPS6KB1 | |
| SCHEMBL16238714 | 0.81 | RHOA (0.43) | RHOAIDH2BRAFRPS6KB1 | |
| SCHEMBL19670130 | 0.80 | RHOA (0.44) | RHOAHDAC1HDAC6IDH2BRAF | |
| SCHEMBL16249975 | 0.80 | RHOA (0.48) | RHOAIDH2CCR3BRAF |
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 |