Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | PDE4B | Q07343 | 17/20 | 0.51 |
| ▸ | PDE4A | P27815 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5813532 | 1.00 | NPC1 (0.51) | NPC1PDE4BPDE4APDE4DPKM | |
| SCHEMBL5839255 | 0.92 | PDE4B (0.51) | PDE4BPDE4APDE4DPTGER4CYP3A4 | |
| SCHEMBL8312818 | 0.90 | PDE4B (0.54) | PDE4BPDE4APDE4DCYP3A4 | |
| SCHEMBL5840103 | 0.90 | PDE4B (0.54) | PDE4BPDE4APDE4DCYP3A4 | |
| SCHEMBL5839406 | 0.88 | PDE4B (0.55) | PDE4BPDE4APDE4DCYP3A4 | |
| SCHEMBL5839482 | 0.88 | PDE4B (0.52) | PDE4BPDE4APDE4DPTGER4CYP3A4 | |
| SCHEMBL8313200 | 0.88 | PDE4B (0.54) | PDE4BPDE4APDE4DPTGER4CYP3A4 | |
| SCHEMBL5839644 | 0.88 | PDE4B (0.54) | PDE4BPDE4APDE4DPTGER4CYP3A4 | |
| SCHEMBL5839648 | 0.88 | PDE4B (0.54) | PDE4BPDE4APDE4DPTGER4CYP3A4 | |
| SCHEMBL8315195 | 0.88 | PDE4B (0.51) | PDE4BPDE4APDE4DCYP3A4 |
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-2005009966-A1 | NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS | PFIZER LIMITED (GB) | 2005-02-03 | — | — | WO | disclosed |