Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 4/20 | 0.72 |
| ▸ | GSK3B | P49841 | 5/20 | 0.71 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.71 |
| ▸ | CLK1 | P49759 | 2/20 | 0.71 |
| ▸ | CLK2 | P49760 | 2/20 | 0.71 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.71 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.71 |
| ▸ | CLK3 | P49761 | 1/20 | 0.71 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.71 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.71 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.71 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.71 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.61 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.57 |
| ▸ | PIM1 | P11309 | 4/20 | 0.57 |
| ▸ | AURKB | Q96GD4 | 4/20 | 0.57 |
| ▸ | KDR | P35968 | 2/20 | 0.57 |
| ▸ | JAK2 | O60674 | 1/20 | 0.56 |
| ▸ | PAK4 | O96013 | 1/20 | 0.56 |
| ▸ | FGFR1 | P11362 | 3/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL27074803 | 0.84 | GSK3B (0.70) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL3540025 | 0.84 | NOS1 (1.00) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL2455100 | 0.83 | GSK3B (1.00) | GSK3BDYRK1ACLK1CLK2CLK4 | |
| SCHEMBL16573980 | 0.81 | GSK3B (0.71) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL4791316 | 0.81 | CLK1 (1.00) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL27663173 | 0.81 | FGFR1 (0.74) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL21507973 | 0.81 | GSK3B (0.65) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL19392327 | 0.79 | NOS1 (0.63) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL18042097 | 0.79 | TGFBR1 (0.55) | NOS1GSK3BDYRK1ACLK1CLK2 | |
| SCHEMBL1141996 | 0.78 | GSK3B (0.61) | NOS1GSK3BDYRK1ACLK1CLK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015075749-A1 | NOVEL PROCESSES FOR THE PREPARATION OF VEMURAFENIB | LAURUS LABS PRIVATE LIMITED (IN) | 2015-05-28 | — | — | WO | disclosed |