Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 9/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 6/20 | 0.36 |
| ▸ | PI4KA | P42356 | 2/20 | 0.35 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.35 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.35 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.35 |
| ▸ | PDE4A | P27815 | 8/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 8/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 8/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 8/20 | 0.35 |
| ▸ | GDA | Q9Y2T3 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4214823 | 0.86 | CDK1 (0.35) | ADORA2AADORA2BPI4KAPI4K2BPI4K2A | |
| SCHEMBL4792559 | 0.80 | GDA (0.39) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| SCHEMBL6879377 | 0.76 | NOS3 (0.39) | NOS3NOS1NOS2PI4KAPI4K2B | |
| SCHEMBL17253699 | 0.72 | CSNK2A1 (0.41) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| SCHEMBL31315058 | 0.72 | CSNK2A1 (0.41) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| SCHEMBL19227912 | 0.71 | PI4KA (0.35) | PI4KAPI4K2BPI4K2API4KBLMNA | |
| SCHEMBL25958200 | 0.69 | ELANE (0.46) | DHFR | |
| SCHEMBL15629821 | 0.69 | NOS3 (0.40) | NOS3NOS1NOS2ADORA2AADORA2B | |
| SCHEMBL26204751 | 0.68 | RET (0.43) | NOS3NOS1NOS2PI4KAPI4K2B | |
| SCHEMBL25951530 | 0.67 | KDM4A (0.37) | ADORA2AADORA2BLMNAXDHPDE4A |
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-2016142310-A1 | TRICYCLIC DLK INHIBITORS AND USES THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-15 | — | — | WO | disclosed |