Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | FLT3 | P36888 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL5229163 | 0.96 | USP2 (0.39) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5226654 | 0.86 | BCHE (0.41) | CYP3A4CYP2D6CYP2C19MAPTTP53 | |
| SCHEMBL5228622 | 0.85 | MEN1 (0.46) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5224047 | 0.83 | KDM4E (0.45) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL13019206 | 0.81 | PTGS1 (0.43) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5231186 | 0.80 | SMN1; SMN2 (0.38) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5224886 | 0.80 | PTGS1 (0.37) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5224632 | 0.79 | ALDH1A1 (0.39) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5228534 | 0.79 | PTGS1 (0.36) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5230318 | 0.78 | MAPT (0.36) | PTGS1NPSR1CYP3A4CYP2D6CYP2C9 |
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-1611122-B1 | SUBSTITUTED PYRAZOLE COMPOUNDS | MERCK PATENT GMBH (DE) | 2007-06-13 | — | — | EP | disclosed |