Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL13782307 | 0.93 | SPHK1 (0.33) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL14646844 | 0.89 | CES2 (0.33) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL14545211 | 0.80 | — | — | |
| SCHEMBL16302442 | 0.79 | CES2 (0.30) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL2969313 | 0.78 | SPHK1 (0.35) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL11172722 | 0.75 | CES2 (0.30) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL19647749 | 0.73 | CES2 (0.32) | CES2 | |
| SCHEMBL25000895 | 0.71 | SPHK1 (0.35) | — | |
| SCHEMBL12901189 | 0.71 | SPHK1 (0.41) | CES2ALOX15CYP1B1ALDH1A1 | |
| SCHEMBL18676864 | 0.71 | SPHK1 (0.41) | CES2ALOX15CYP1B1ALDH1A1 |
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-2011030068-A1 | USE OF INDOLE DERIVATIVES AS NURR-1 ACTIVATORS FOR THE APPLICATION THEREOF AS A MEDICAMENT FOR THE TREATMENT OF PARKINSON'S DISEASE | LABORATOIRES FOURNIER SA (FR) | 2011-03-17 | — | — | WO | disclosed |