Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.54 |
| ▸ | CDC7 | O00311 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 7/20 | 0.48 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.48 |
| ▸ | AKT1 | P31749 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.47 |
| ▸ | GSK3B | P49841 | 3/20 | 0.47 |
| ▸ | PIM1 | P11309 | 2/20 | 0.47 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | PAK4 | O96013 | 1/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 1/20 | 0.47 |
| ▸ | CLK1 | P49759 | 2/20 | 0.46 |
| ▸ | CLK2 | P49760 | 2/20 | 0.45 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.45 |
| ▸ | PRKACA | P17612 | 1/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL19922226 | 0.81 | CLK1 (0.68) | S1PR1CDC7TRPA1TRPM8AKT1 | |
| SCHEMBL28071862 | 0.81 | ADORA2A (0.59) | KDM4EMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL3910159 | 0.78 | ADORA2A (0.53) | KDM4EMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL3898550 | 0.76 | ADORA2A (0.72) | KDM4EMEN1ALDH1A1MAPTHPGD | |
| SCHEMBL376116 | 0.74 | METAP2 (0.73) | S1PR1CDC7TRPA1TRPM8ROCK2 | |
| SCHEMBL3898780 | 0.74 | ADORA2A (0.51) | KDM4EMEN1ALDH1A1MAPTKMT2A | |
| SCHEMBL22234018 | 0.73 | KIF11 (0.52) | S1PR1RAB9A | |
| SCHEMBL6531140 | 0.71 | ADORA2A (0.54) | CLK1CLK2DYRK1ACLK4DYRK1B | |
| SCHEMBL19922168 | 0.70 | TRPA1 (0.62) | S1PR1CDC7TRPA1TRPM8ROCK2 | |
| SCHEMBL29732539 | 0.70 | TRPA1 (0.62) | S1PR1CDC7TRPA1TRPM8ROCK2 |
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-1542692-A1 | AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN | Amgen Inc. (US) | 2005-06-22 | — | — | EP | claimed |
| WO-2003099284-A1 | AMINO-PYRIDINE, -PYRIDINE AND PYRIDAZINE DERIVATIVES FOR USE AS VANILLOID RECEPTOR LIGANDS FOR THE TREATMENT OF PAIN | AMGEN INC. (US) | 2003-12-04 | — | — | WO | claimed |