Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.40 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.40 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | MAOA | P21397 | 10/20 | 0.37 |
| ▸ | MAOB | P27338 | 10/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.35 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CRBN | Q96SW2 | 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 | |
|---|---|---|---|---|
| SCHEMBL1744197 | 0.78 | NPC1 (0.43) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL9435206 | 0.71 | CA9 (0.42) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL14796816 | 0.70 | MAOA (0.51) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL14843503 | 0.67 | CA9 (0.57) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL29754233 | 0.67 | CA9 (0.57) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL6217777 | 0.65 | MAOA (0.50) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL910409 | 0.63 | NPC1 (0.55) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL99208 | 0.63 | MAOA (0.56) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL12682656 | 0.62 | CYP11B1 (0.56) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL19278654 | 0.62 | CA9 (0.52) | NPC1MAPK13MAPK12MAPK11MAPK14 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2385939-A1 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2011-11-16 | — | — | EP | disclosed |
| US-8041551-B1 | Algorithm and architecture for multi-argument associative operations that minimizes the number of components using a latency of the components | THE MATHWORKS, INC. (US) | 2011-10-18 | — | — | US | disclosed |
| WO-2010072597-A1 | DIHYDROPYRIDONE AMIDES AS P2X7 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-07-01 | — | — | WO | disclosed |