Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | PDE2A | O00408 | 6/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.34 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.34 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.34 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3960529 | 0.80 | PARP1 (0.42) | CYP2D6CYP2C9LMNATP53MAPT | |
| SCHEMBL13906484 | 0.80 | NPY5R (0.43) | CYP2D6CYP2C9LMNATP53MAPT | |
| SCHEMBL13907999 | 0.75 | KMT2A (0.39) | CYP2D6CYP2C9MAPTPARP1NPC1 | |
| SCHEMBL13906625 | 0.75 | NPC1 (0.37) | CYP2D6CYP2C9SMN1; SMN2ADORA1NPC1 | |
| SCHEMBL4562585 | 0.74 | MEN1 (0.38) | CYP2D6CYP2C9LMNAMAPTHTT | |
| SCHEMBL16789768 | 0.73 | NPC1 (0.45) | LMNAMAPTADORA1NPC1RAB9A | |
| SCHEMBL13351319 | 0.71 | KDM4E (0.42) | CYP2D6CYP2C9MAPTADORA1NPC1 | |
| SCHEMBL4565286 | 0.71 | FASN (0.37) | SMN1; SMN2NPC1 | |
| SCHEMBL1542506 | 0.67 | MAPT (0.37) | MAPTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL3965280 | 0.67 | PARP1 (0.41) | PARP1 |
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-2009034028-A2 | NOVEL COMPOUNDS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-03-19 | — | — | WO | disclosed |