Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 8/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 8/20 | 0.37 |
| ▸ | CDC42BPB | Q9Y5S2 | 8/20 | 0.37 |
| ▸ | CDC42BPA | Q5VT25 | 5/20 | 0.37 |
| ▸ | IDH2 | P48735 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 2/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | AKT1 | P31749 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.35 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.34 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16754669 | 1.00 | ROCK2 (0.37) | ROCK2ROCK1CDC42BPBCDC42BPAIDH2 | |
| SCHEMBL16776481 | 0.92 | HTR2C (0.41) | IDH2CYP2C19ABL1PIM2PIM3 | |
| SCHEMBL16754510 | 0.92 | PKM (0.36) | ROCK2ROCK1CDC42BPBIDH2CYP2C19 | |
| SCHEMBL17778304 | 0.88 | NR3C2 (0.38) | IDH2CYP2C19PIK3CANR3C2RPS6KB1 | |
| SCHEMBL16754649 | 0.88 | NR3C2 (0.38) | IDH2CYP2C19PIK3CANR3C2RPS6KB1 | |
| SCHEMBL16754405 | 0.88 | NR3C2 (0.38) | ROCK2ROCK1CDC42BPBCDC42BPAIDH2 | |
| SCHEMBL16754368 | 0.88 | GRM5 (0.39) | ROCK2ROCK1CDC42BPBCDC42BPAIRAK4 | |
| SCHEMBL17777142 | 0.88 | GRM5 (0.39) | ROCK2ROCK1CDC42BPBCDC42BPAIRAK4 | |
| SCHEMBL20733227 | 0.88 | IDH2 (0.40) | IDH2CYP2C19PIK3CANR3C2RPS6KB1 | |
| SCHEMBL17618371 | 0.86 | IDH2 (0.42) | IDH2CYP2C19RPS6KB1AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016079711-A1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) | 2016-05-26 | — | — | WO | disclosed |
| WO-2016081692-A2 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-05-26 | — | — | WO | disclosed |