Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.33 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL21366417 | 0.83 | — | — | |
| SCHEMBL6531264 | 0.74 | — | — | |
| SCHEMBL20320427 | 0.71 | — | — | |
| SCHEMBL4442483 | 0.70 | — | — | |
| SCHEMBL4939076 | 0.70 | — | — | |
| SCHEMBL8901436 | 0.66 | — | — | |
| SCHEMBL10920679 | 0.64 | CYP1A2 (0.44) | — | |
| SCHEMBL14272702 | 0.64 | — | — | |
| SCHEMBL11604727 | 0.64 | — | — | |
| SCHEMBL6309848 | 0.63 | IKBKB (0.35) | — |
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-2009124756-A1 | USE OF APREPITANT AND DERIVATIVES THEREOF FOR THE TREATMENT OF CANCER | EUROPEAN MOLECULAR BIOLOGY LABORATORY (EMBL) (DE) | 2009-10-15 | — | — | WO | disclosed |