Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 4/20 | 0.31 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | SYK | P43405 | 2/20 | 0.31 |
| ▸ | PDE4A | P27815 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.30 |
| ▸ | MTOR | P42345 | 2/20 | 0.30 |
| ▸ | RPTOR | Q8N122 | 1/20 | 0.30 |
| ▸ | MLST8 | Q9BVC4 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17966038 | 0.82 | PDE10A (0.40) | TGFBR1CYP2C19PDE10AALOX5AP | |
| SCHEMBL28292591 | 0.75 | KIF11 (0.39) | TGFBR1CYP2C19ALOX5APSCN9AELANE | |
| SCHEMBL152558 | 0.74 | PDE10A (0.43) | PDE10A | |
| SCHEMBL15001189 | 0.74 | PDE10A (0.43) | PDE10A | |
| SCHEMBL15001191 | 0.74 | PDE10A (0.43) | PDE10A | |
| SCHEMBL24922323 | 0.71 | DEGS1 (0.38) | TGFBR1CYP2C19ALOX5APSYK | |
| SCHEMBL133859 | 0.71 | CCR1 (0.46) | TGFBR1PDE10ASYK | |
| SCHEMBL8247564 | 0.69 | FAAH (0.45) | KCNH2FAAH | |
| SCHEMBL17642713 | 0.69 | TGFBR1 (0.32) | TGFBR1CYP2C19ALOX5APKCNH2SYK | |
| SCHEMBL13653889 | 0.69 | KDM4E (0.40) | TGFBR1ALOX5AP |
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-1517895-A1 | 8-(BIARYL) QUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA INC. (CA) | 2005-03-30 | — | — | EP | disclosed |
| WO-2004000814-A1 | 8-(BIARYL) QUINOLINE PDE4 INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2003-12-31 | — | — | WO | disclosed |