Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 3/20 | 0.37 |
| ▸ | NOS3 | P29474 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 5/20 | 0.36 |
| ▸ | RAB9A | P51151 | 5/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | WNT3A | P56704 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL895915 | 0.80 | SMN1; SMN2 (0.41) | CYP1A2CYP2C19CYP3A4CYP2D6MAPT | |
| SCHEMBL666127 | 0.79 | PLAU (0.40) | CYP1A2CYP2C19CYP3A4CYP2D6MAPT | |
| SCHEMBL27596207 | 0.77 | P2RX7 (0.32) | P2RX7 | |
| SCHEMBL22493453 | 0.77 | NOS3 (0.39) | CYP2D6MAPTFDPSNOS3NOS1 | |
| SCHEMBL3708099 | 0.77 | NOS3 (0.39) | CYP2D6MAPTFDPSNOS3NOS1 | |
| SCHEMBL27615010 | 0.77 | P2RX7 (0.42) | P2RX7GSK3B | |
| SCHEMBL27659750 | 0.76 | TRPM8 (0.43) | CTNNB1WNT3A | |
| Bromide SCHEMBL27596186 | 0.76 | P2RX7 (0.31) | P2RX7 | |
| Bromide SCHEMBL27659823 | 0.75 | TRPM8 (0.42) | CTNNB1WNT3A | |
| SCHEMBL10651810 | 0.74 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP3A4CYP2D6MAPT |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100395234-C | Novel CB1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2008-06-18 | — | — | CN | disclosed |
| CN-100381429-C | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 2008-04-16 | — | — | CN | disclosed |
| CN-100363362-C | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2008-01-23 | — | — | CN | disclosed |
| CN-101012193-A | Novel CB 1 receptour inverse agonists | HOFFMANN LA ROCHE (CH) | 2007-08-08 | — | — | CN | disclosed |
| CN-1735593-A | Novel CB1 receptor inverse agonists | HOFFMANN LA ROCHE (CH) | 2006-02-15 | — | — | CN | disclosed |
| CN-1675188-A | Thiazole derivatives | HOFFMANN LA ROCHE (CH) | 2005-09-28 | — | — | CN | disclosed |
| CN-1639158-A | Thiazole derivatives as NPY receptor antagonists | HOFFMANN LA ROCHE (CH) | 2005-07-13 | — | — | CN | disclosed |